Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 08:23:18
  • Qualités :
  • Propriétés physico-chimiques :

Redescriptions

Score de l'analyse : Moyenne des score des redescriptions.

Comment lire les redescriptions

# Qualités Propriétés physico-chimiques Score (en %) Support Support qualités Support propriétés
1 5.75 < new rubber < 7.5 15.862 < Se < 16.036 100.0 4 4 4
2 5.1 < lavender < 5.9 327.638 < SAtot < 333.929 100.0 4 4 4
3 6.5 < herbal green. cut grass < 6.84 15.0 < nCsp3 100.0 3 3 3
4 5.1 < lavender < 5.4 2.9 < O% < 3.0 100.0 3 3 3
5 10.4 < orange < 10.7 324.27 < SAtot < 330.641 100.0 3 3 3
6 5.1 < lavender < 5.9 18.983 < Sv < 19.456 100.0 4 4 4
7 5.3 < lavender < 5.9 32.607 < Se < 33.163 100.0 3 3 3
8 29.4 < sweaty 1.146 < Mi
et nRCOOH = 1.0
100.0 4 4 4
9 5.0 < molasses < 12.2 12.5 < O% < 15.0
et 0.062 < MLOGP < 0.391
100.0 3 3 3
10 13.26 < sweaty < 18.29
et 4.96 < blood. raw meat
6.129 < Sv < 7.142 100.0 4 4 4
11 12.15 < sour. vinegar < 14.5
et 8.2 < cadaverous < 12.6
75.9 < TPSA(Tot) 100.0 3 3 3
12 9.6 < nutty (walnut..) < 17.3
et 21.9 < burnt. smoky
16.08 < Se < 16.189 100.0 3 3 3
13 8.08 < yeasty 1.147 < Mi < 1.149
et 0.046 < Hy < 0.158
100.0 3 3 3
14 9.9 < dirty linen 1.147 < Mi < 1.149
et 0.046 < Hy < 0.158
100.0 3 3 3
15 10.9 < sour milk 37.3 < TPSA(Tot) < 42.37
et 0.888 < MLOGP < 1.064
100.0 4 4 4
16 5.9 < meaty (cooked. good)
et 10.3 < fecal (manure) < 13.6
75.9 < TPSA(Tot) 100.0 3 3 3
17 cologne < 4.1
ou 18.2 < perfumery < 19.6
Sv < 9.107
ou 15.636 < Se < 30.163
ou 3.492 < MLOGP < 3.59
90.59 106 113 110
18 4.11 < herbal green. cut grass
ou 7.9 < fecal (manure) < 9.4
9.876 < Sv
et 1.195 < MLOGP
et 179.249 < SAtot
ou 14.534 < Se < 15.189
ou 36.4 < H% < 41.2
89.62 95 98 103
19 4.11 < herbal green. cut grass
ou 5.9 < chemical < 6.1
114.18 < MW
et 1.731 < MLOGP
et 183.839 < SAtot
ou 9.876 < Sv < 10.402
ou 14.534 < Se < 15.189
ou 35.3 < H% < 41.2
89.32 92 98 97
20 10.83 < fragrant
ou 4.2 < sweet < 6.5
9.876 < Sv
et 17.0 < nAT
ou 95.16 < MW < 98.16
ou 14.534 < Se < 15.633
88.88 104 111 110
21 4.11 < herbal green. cut grass
ou 4.27 < animal < 5.11
17.407 < Se
et 1.195 < MLOGP
et 184.838 < SAtot
ou 1.11 < Mi < 1.111
ou 35.3 < H% < 41.2
88.57 93 99 99
22 4.11 < herbal green. cut grass
ou 4.27 < animal < 5.11
17.407 < Se
et 1.195 < MLOGP
et 184.838 < SAtot
ou 35.3 < H% < 41.2
ou 46.7 < C% < 47.1
88.57 93 99 99
23 6.0 < herbal green. cut grass
ou 14.55 < sickening < 16.9
nHDon < 0.0
et Hy < -0.781
ou 1.0 < nOHp
ou 1.0 < nOHs
ou 1.0 < nOHt
ou 3.0 < nHAcc
et 1.195 < MLOGP
ou 36.4 < H% < 41.2
88.17 82 84 91
24 8.85 < sweet
ou 4.4 < urine < 10.9
1.0 < nDB
ou 52.5 < H% < 52.6
ou 0.846 < ARR < 0.917
ou 1.0 < nROR
87.85 94 102 99
25 4.11 < herbal green. cut grass
ou 4.4 < buttery. fresh butter
9.876 < Sv < 11.929
ou 8.0 < nC
et 178.52 < SAtot
ou 14.0 < nAT < 15.0
87.5 98 101 109
26 9.4 < fragrant
ou 13.48 < aromatic < 13.75
15.0 < O%
ou 1.442 < MLOGP
ou 184.838 < SAtot < 187.127
87.17 102 109 110
27 4.78 < perfumery
ou 8.4 < fragrant < 13.3
95.16 < MW < 98.16
ou 7.0 < nC
ou Hy = -0.71
86.08 99 105 109
28 4.4 < urine < 5.42
ou rancid < 8.0
62.9 < H% < 63.2
ou 32.0 < C%
85.47 100 111 106
29 rancid < 8.0
ou 13.94 < sweaty < 15.34
62.9 < H% < 63.2
ou 32.0 < C%
85.47 100 111 106
30 9.0 < sweet
ou 12.24 < sickening < 24.4
9.876 < Sv
et 179.249 < SAtot
ou 92.15 < MW < 100.13
ou 16.08 < Se < 16.189
85.47 100 107 110
31 9.0 < sweet
ou 7.5 < burnt. smoky < 18.2
17.0 < nAT
et 7.0 < nC
ou 92.15 < MW < 100.18
ou 10.402 < Sv < 10.602
ou 169.38 < SAtot < 173.515
85.47 100 107 110
32 9.0 < sweet
ou 7.5 < burnt. smoky < 18.2
16.862 < Se
et 7.0 < nC
ou 92.15 < MW < 100.18
ou 10.402 < Sv < 10.602
ou 169.38 < SAtot < 173.515
85.47 100 107 110
33 10.83 < fragrant
ou 6.2 < garlic. onion < 10.2
14.534 < Se < 15.633
ou 17.0 < nBT
84.61 99 107 109
34 burnt. smoky < 8.7
ou 27.7 < garlic. onion
Mi < 1.104
ou 51.9 < H%
84.48 98 112 102
35 chemical < 12.7
ou 9.6 < paint < 10.1
nBM = 5.0
ou 1.0 < nDB
ou 2.0 < nN
ou 67.9 < H%
ou 1.0 < nROR
84.07 95 106 102
36 cologne < 5.0 17.644 < Sv < 18.456
ou SAtot < 281.096
83.76 98 112 103
37 13.3 < fragrant
ou 4.0 < yeasty
1.6 < O% < 20.0
ou TPSA(Tot) < 0.0
83.76 98 101 114
38 10.83 < fragrant
ou 4.3 < garlic. onion < 7.2
92.15 < MW < 100.18
ou 1.147 < Mi < 1.148
ou 9.0 < nSK
83.76 98 105 110
39 12.3 < fragrant
ou 19.6 < sickening < 24.4
9.876 < Sv
et 184.838 < SAtot
ou Mi < 1.114
83.76 98 104 111
40 4.78 < perfumery
ou 4.0 < sweet < 7.6
92.15 < MW < 98.16
ou 9.876 < Sv
ou 157.763 < SAtot < 164.864
83.76 98 103 112
41 8.4 < fragrant 7.0 < nC 82.9 97 113 101
42 4.4 < pineapple < 4.7
ou sour. vinegar < 6.4
1.147 < Mi < 1.148
ou 31.6 < C% < 52.9
82.9 97 103 111
43 5.9 < creosote
ou sharp. pungent. acid < 12.9
1.104 < Mi < 1.14
et 33.3 < C%
ou 11.929 < Sv < 12.117
ou 62.5 < H% < 64.0
82.9 97 104 110
44 4.78 < perfumery
ou 4.2 < sweet < 6.7
116.18 < MW < 118.27
ou 9.107 < Sv < 9.537
ou 9.0 < nSK
82.88 92 96 107
45 9.0 < sweet
ou 7.5 < burnt. smoky < 19.1
10.822 < Sv
et 9.0 < nSK
ou 92.15 < MW < 100.18
ou 169.38 < SAtot < 173.515
82.6 95 108 102
46 9.0 < sweet
ou 19.7 < sickening < 24.4
114.18 < MW
et 7.142 < Sv < 10.602
ou 14.534 < Se < 15.633
82.56 90 99 100
47 7.6 < sweet
ou 4.3 < garlic. onion < 7.2
15.189 < Se < 15.745
ou 7.0 < nC
ou 1.335 < MLOGP < 1.442
82.05 96 102 111
48 sour. vinegar < 6.4
ou 4.4 < urine < 5.42
1.109 < Mi < 1.14
et 33.3 < C%
ou 172.3 < MW < 174.22
ou 63.2 < H% < 67.9
82.05 96 103 110
49 9.0 < sweet
ou 7.5 < burnt. smoky < 13.52
10.822 < Sv
et 17.0 < nBT
ou 92.15 < MW < 100.18
ou 15.633 < Se < 15.854
81.89 95 103 108
50 4.2 < fragrant < 7.56
et 7.2 < garlic. onion
1.0 < nHM < 2.0 81.81 9 9 11
51 10.83 < fragrant
et 7.5 < sweet
1.0 < nDB
ou 0.846 < ARR < 0.917
ou 1.0 < nROR
ou TPSA(Tot) = 20.23
80.35 90 92 110
52 6.8 < peanut butter 11.1 < N% 80.0 4 5 4
53 8.4 < sewer < 10.4 10.869 < Se < 12.636 80.0 4 4 5
54 8.4 < sewer < 10.4 6.129 < Sv < 7.294 80.0 4 4 5
55 13.22 < cedarwood 1.126 < Mi < 1.134
et 1.0 < nCrq
80.0 12 14 13
56 13.22 < cedarwood 1.126 < Mi < 1.134
et 1.0 < nCq
80.0 12 14 13
57 11.93 < animal nC < 5.0
et 1.0 < nRCOOH
80.0 4 4 5
58 4.2 < fragrant < 7.56
et 10.1 < sour. vinegar < 17.25
1.0 < nS < 2.0 80.0 8 8 10
59 4.03 < spicy
ou 11.09 < sweaty < 21.4
9.129 < Sv < 9.537
ou 8.844 < Se < 11.422
ou 9.0 < nSK < 22.0
79.82 91 101 104
60 6.69 < fragrant < 7.56
ou 8.36 < sulfidic
1.0 < nS 78.57 11 14 11
61 8.36 < sulfidic
ou 7.2 < garlic. onion < 9.2
1.0 < nHM 78.57 11 12 13
62 4.7 < household gas
et 8.57 < sewer
2.0 < nC < 6.0
et 1.0 < nHM
77.77 7 7 9
63 soapy < 0.0 3.492 < MLOGP < 3.517
ou SAtot < 280.941
77.19 88 103 99
64 7.2 < pear < 9.3
ou 17.25 < sour. vinegar
30.0 < C% < 30.8
ou 0.046 < Hy < 0.158
76.92 10 11 12
65 10.8 < sweet
ou 18.3 < sweaty
1.6 < O% < 20.0 76.31 87 94 107
66 12.3 < fragrant
et 13.4 < aromatic < 46.9
9.0 < nSK < 22.0
ou 1.195 < MLOGP < 1.587
et 16.745 < Se
ou Mi = 1.147
ou nBT = 15.0
76.14 83 85 107
67 12.3 < fragrant
et 13.4 < aromatic < 46.9
Mi = 1.147
ou 9.0 < nSK < 22.0
ou 1.195 < MLOGP < 1.587
et 16.745 < Se
ou nBT = 15.0
76.14 83 85 107
68 6.9 < urine < 7.93 191.107 < SAtot < 194.863 75.0 3 3 4
69 8.12 < sickening < 9.7 Hy = -0.158 75.0 3 4 3
70 5.3 < creosote < 5.5 161.545 < SAtot < 164.864 75.0 3 4 3
71 42.7 < perfumery 5.0 < nCp 75.0 3 3 4
72 10.8 < musty. earthy. moldy < 11.0 -0.931 < Hy < -0.923 75.0 3 3 4
73 16.0 < cologne 0.273 < ARR < 0.3 75.0 3 4 3
74 10.9 < sour milk < 18.2 Hy = 0.046 75.0 3 3 4
75 16.0 < cologne 19.0 < nSK < 22.0 75.0 3 4 3
76 6.7 < yeasty < 9.6 C% = 29.4 75.0 3 3 4
77 14.67 < gasoline. solvent < 21.07 88.19 < MW < 92.15 75.0 3 4 3
78 17.5 < musk 5.0 < nCp 75.0 3 3 4
79 14.5 < putrid. foul. decayed < 15.8 10.59 < Sv < 10.709 75.0 3 3 4
80 22.7 < garlic. onion < 35.42 6.241 < Sv < 7.294 75.0 3 3 4
81 14.9 < lemon < 22.3 2.8 < O% < 3.0 75.0 3 3 4
82 17.4 < cologne 5.0 < nCp 75.0 3 3 4
83 36.18 < rancid < 37.5 C% = 29.4 75.0 3 3 4
84 16.0 < cologne nC = 18.0 75.0 3 4 3
85 4.75 < musty. earthy. moldy < 5.1 nAT = 13.0 75.0 3 4 3
86 8.4 < sewer < 8.57 122.165 < SAtot < 134.253 75.0 3 3 4
87 6.0 < cologne < 7.2 330.641 < SAtot < 333.929 75.0 3 4 3
88 7.39 < household gas < 11.98 7.075 < Sv < 7.294 75.0 3 4 3
89 16.0 < cologne 258.44 < MW < 305.46 75.0 3 4 3
90 12.3 < fragrant
et 14.0 < aromatic < 46.9
9.064 < Sv < 9.349
ou 17.0 < nBT < 50.0
et 16.745 < Se
et 1.195 < MLOGP
ou 15.0 < O%
74.28 78 81 102
91 5.68 < sewer < 13.2 nSK < 6.0 72.72 8 9 10
92 11.35 < rancid < 14.6 nSK = 5.0 71.42 5 7 5
93 4.03 < spicy
ou 4.11 < urine < 6.8
1.083 < Mi < 1.137 70.9 78 89 99
94 turpentine (pine oil) < 4.5
et paint < 4.11
2.0 < nHet
ou O% < 3.1
68.86 73 79 100
95 9.4 < varnish < 10.6 4.8 < O% < 5.3 66.66 4 4 6
96 4.85 < metallic < 5.2 7.075 < Sv < 7.349 66.66 4 6 4
97 8.223 < musk 42.0 < nBT < 47.0 66.66 4 5 5
98 10.4 < orange < 10.8 2.8 < O% < 3.1 66.66 4 4 6
99 8.44 < sewer < 13.2 2.0 < nC < 4.0 66.66 6 7 8
100 8.4 < soapy < 12.2 26.0 < nH < 27.0 66.66 4 6 4
101 8.4 < sewer < 12.68 9.0 < nBT < 13.0 66.66 6 7 8
102 26.7 < perfumery < 29.5 2.9 < O% < 3.1 66.66 4 5 5
103 6.8 < cherry (berry)
et 5.2 < minty. peppermint < 6.2
183.839 < SAtot < 187.127 66.66 4 5 5
104 7.3 < pineapple < 15.6
ou 15.8 < putrid. foul. decayed < 21.51
7.821 < Sv < 8.537
ou 30.0 < C% < 31.0
66.66 10 13 12
105 6.8 < peanut butter
ou 4.5 < burnt rubber < 11.07
1.173 < MLOGP < 1.246
ou 164.864 < SAtot < 172.439
64.28 9 11 12
106 5.4 < cologne < 6.0 nCp = 4.0 62.5 5 7 6
107 11.7 < perfumery < 15.4
et 6.3 < cinnamon
1.959 < MLOGP < 2.11 62.5 5 5 8
108 4.42 < dirty linen < 6.03 173.515 < SAtot < 174.635 60.0 3 5 3
109 4.2 < raw cucumber 25.396 < Se < 26.029 60.0 3 5 3
110 5.8 < vanilla < 7.9 185.824 < SAtot < 188.908 60.0 3 4 4
111 7.77 < eucaliptus < 8.2 23.513 < Se < 24.513 60.0 3 3 5
112 8.0 < minty. peppermint < 8.5 233.96 < SAtot < 239.749 60.0 3 3 5
113 8.0 < cinnamon < 12.1 42.1 < H% < 42.9 60.0 3 3 5
114 14.4 < cherry (berry) < 23.0 10.0 < O% < 10.3 60.0 3 4 4
115 4.2 < peach < 4.7 327.638 < SAtot < 337.909 60.0 3 3 5
116 4.82 < pineapple < 7.3 1.727 < MLOGP < 1.731 60.0 3 5 3
117 4.17 < cadaverous < 5.6 86.15 < MW < 90.21 60.0 3 4 4
118 10.3 < grape juice 10.0 < O% < 10.3 60.0 3 4 4
119 9.5 < creosote < 16.1 nBT = 17.0 60.0 3 3 5
120 6.0 < minty. peppermint < 6.2 16.745 < Se < 16.862 60.0 3 4 4
121 4.16 < cinnamon < 5.5 22.073 < Se < 22.629 60.0 3 4 4
122 5.4 < fruity other than citrus < 5.5 34.4 < C% < 34.5 60.0 3 4 4
123 8.56 < fragrant < 9.0 6.3 < N% < 9.1 60.0 3 3 5
124 25.1 < fragrant < 26.51 5.0 < nCrs < 7.0 60.0 3 3 5
125 22.7 < garlic. onion Hy = -0.719 60.0 3 5 3
126 8.223 < musk < 26.3 nCIC = 3.0 60.0 3 4 4
127 11.98 < household gas Hy = -0.719 60.0 3 5 3
128 11.9 < orange < 24.4 280.473 < SAtot < 281.775 60.0 3 3 5
129 5.9 < sulfidic < 8.36 nBT = 13.0 60.0 3 5 3
130 25.9 < lemon < 26.9 34.4 < C% < 34.6 60.0 3 3 5
131 8.223 < musk < 26.3 12.0 < nCsp3 < 16.0 60.0 3 4 4
132 12.8 < household gas < 25.4 26.7 < C% < 27.3 60.0 3 3 5
133 25.9 < lemon < 26.9 Mi = 1.136 60.0 3 3 5
134 11.6 < paint < 13.2 Hy = -0.088 60.0 3 4 4
135 4.2 < varnish < 5.1 nR05 = 2.0 57.14 4 5 6
136 22.6 < rancid nRCOOH = 1.0 55.55 5 7 7
137 6.9 < urine nRCOOH = 1.0 55.55 5 7 7
138 23.4 < sour. vinegar nRCOOH = 1.0 55.55 5 7 7
139 4.2 < peach < 4.7
ou 25.8 < sweet < 28.2
32.28 < Se < 33.163 54.54 6 11 6
140 7.2 < crushed grass < 10.9 269.113 < SAtot < 277.868 50.0 3 6 3
141 4.4 < buttery. fresh butter < 6.86 14.3 < O% < 15.8 50.0 3 4 5
142 11.0 < coconut Hy = -0.79 50.0 3 3 6
143 5.23 < wet wool. wet dog < 5.9 0.158 < Hy 50.0 3 4 5
144 6.44 < blood. raw meat 10.0 < nBT < 12.0 50.0 3 5 4
145 5.8 < seasoning (meat) < 7.4 0.062 < MLOGP < 0.391 50.0 3 3 6
146 9.7 < popcorn 2.0 < nN 50.0 3 4 5
147 7.8 < crushed grass < 12.7 1.442 < MLOGP < 1.587 50.0 3 4 5
148 14.72 < nutty (walnut..) 2.0 < nN 50.0 3 4 5
149 8.2 < bark. birch bark < 11.26 44.8 < C% < 46.2 50.0 3 4 5
150 4.52 < vanilla < 6.1 TPSA(Tot) = 46.53 50.0 3 5 4
151 9.56 < animal < 10.57 5.3 < N% < 7.7 50.0 3 3 6
152 7.2 < pear < 9.3 1.144 < Mi < 1.146 50.0 3 3 6
153 4.4 < oily. fatty < 4.74 3.8 < N% < 4.2 50.0 3 6 3
154 4.6 < crushed grass < 5.3 63.4 < H% < 64.0 50.0 3 6 3
155 4.85 < metallic < 5.15 10.869 < Se < 12.611 50.0 3 5 4
156 8.8 < dirty linen 0.996 < MLOGP < 1.064 50.0 3 4 5
157 4.82 < pineapple < 11.1 1.143 < Mi < 1.145 50.0 5 8 7
158 10.3 < cadaverous < 12.6 0.158 < Hy 50.0 3 4 5
159 23.4 < fecal (manure) 0.996 < MLOGP < 1.064 50.0 3 4 5
160 6.3 < cinnamon < 12.1 47.1 < C% < 47.4 50.0 3 5 4
161 6.8 < urine < 7.61 0.996 < MLOGP < 1.064 50.0 3 4 5
162 4.6 < orange < 6.4 29.167 < Se < 31.163 50.0 3 5 4
163 4.13 < tar < 4.37 13.876 < Sv < 14.182 50.0 3 3 6

Qualités

Minty. peppermint Seasoning (meat) Soapy Sewer Sickening Burnt rubber Perfumery Chemical Peach Yeasty Blood. raw meat Creosote Bark. birch bark Sour milk Wet wool. wet dog Buttery. fresh butter Popcorn Sulfidic Sour. vinegar Burnt. smoky Lavender Crushed grass Aromatic Pear Raw cucumber Pineapple Orange Cinnamon Sweet Varnish Musk Sharp. pungent. acid Vanilla Fragrant Musty. earthy. moldy Metallic Turpentine (pine oil) Dirty linen Herbal green. cut grass Animal Rancid Urine Cologne Peanut butter Tar Molasses Oily. fatty Cherry (berry) Gasoline. solvent Spicy Fecal (manure) Cadaverous New rubber Nutty (walnut..) Household gas Fruity other than citrus Putrid. foul. decayed Coconut Sweaty Paint Lemon Meaty (cooked. good) Cedarwood Eucaliptus Grape juice Garlic. onion

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nCrq number of ring quaternary C(sp3) Functional group counts Basic descriptors
nROR number of ethers (aliphatic) Functional group counts Basic descriptors
SAtot total surface area from P_VSA-like descriptors Molecular properties Basic descriptors
H% percentage of H atoms Constitutional indices Basic descriptors
nRCOOH number of carboxylic acids (aliphatic) Functional group counts Basic descriptors
N% percentage of N atoms Constitutional indices Basic descriptors
nAT number of atoms Constitutional indices Basic descriptors
TPSA(Tot) topological polar surface area using N,O,S,P polar contributions Molecular properties Basic descriptors
nHDon number of donor atoms for H-bonds (N and O) Functional group counts Basic descriptors
nCq number of total quaternary C(sp3) Functional group counts Basic descriptors
nCp number of terminal primary C(sp3) Functional group counts Basic descriptors
Hy hydrophilic factor Molecular properties Basic descriptors
nS number of Sulfur atoms Constitutional indices Basic descriptors
nN number of Nitrogen atoms Constitutional indices Basic descriptors
nOHt number of tertiary alcohols Functional group counts Basic descriptors
nOHs number of secondary alcohols Functional group counts Basic descriptors
nOHp number of primary alcohols Functional group counts Basic descriptors
nH number of Hydrogen atoms Constitutional indices Basic descriptors
nDB number of double bonds Constitutional indices Basic descriptors
nSK number of non-H atoms Constitutional indices Basic descriptors
nC number of Carbon atoms Constitutional indices Basic descriptors
nR05 number of 5-membered rings Ring descriptors Basic descriptors
nHAcc number of acceptor atoms for H-bonds (N,O,F) Functional group counts Basic descriptors
nHet number of heteroatoms Constitutional indices Basic descriptors
Sv sum of atomic van der Waals volumes (scaled on Carbon atom) Constitutional indices Basic descriptors
C% percentage of C atoms Constitutional indices Basic descriptors
Mi mean first ionization potential (scaled on Carbon atom) Constitutional indices Basic descriptors
O% percentage of O atoms Constitutional indices Basic descriptors
nBT number of bonds Constitutional indices Basic descriptors
ARR aromatic ratio Ring descriptors Basic descriptors
Se sum of atomic Sanderson electronegativities (scaled on Carbon atom) Constitutional indices Basic descriptors
nCIC number of rings (cyclomatic number) Ring descriptors Basic descriptors
nBM number of multiple bonds Constitutional indices Basic descriptors
nHM number of heavy atoms Constitutional indices Basic descriptors
MW molecular weight Constitutional indices Basic descriptors
MLOGP Moriguchi octanol-water partition coeff. (logP) Molecular properties Basic descriptors
nCrs number of ring secondary C(sp3) Functional group counts Basic descriptors
nCsp3 number of sp3 hybridized Carbon atoms Constitutional indices Basic descriptors

Visualisations