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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
442.70
8.3
2
2
40.46
1
Multiflorenol acetate
468.80
9.7
0
2
26.3
2
Cimicifugoside H1
616.80
1.8
4
9
146.05
6
Cimicifugoside H-3
576.70
0.8
5
9
153.75
6
(1aS,2S,4aR,8aR)-2,4a,8,8-tetramethyl-1a,3,4,5,6,7-hexahydro-1H-cyclopropa[j]naphthalen-2-ol
222.37
4
1
1
20.23
0
1-[(1S,3aR,7aR)-1,5-dimethyl-1,2,3,6,7,7a-hexahydroinden-3a-yl]-2-methylpropan-1-one
220.35
3.8
0
1
17.07
2
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
304.50
5.5
1
2
33.37
2
1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
224.38
4.6
1
1
20.23
0
(1R,2R,4aS,8aS)-1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
224.38
4.6
1
1
20.23
0
2-(3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl)but-3-en-2-ol
306.50
5
1
2
29.46
2
(2S)-2-[(2S,3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]but-3-en-2-ol
306.50
5
1
2
29.46
2
(8R,12R,13R)-8,12-Epoxylabd-14-en-13-ol
306.50
5
1
2
29.46
2
(4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
300.40
4.9
1
2
37.3
1
(3E,6S)-2,6-dimethylocta-3,7-diene-2,6-diol
170.25
1.1
2
2
40.46
4
5-Hydroxy-3',4',6,7-tetramethoxyflavone
358.30
3.3
1
7
87.36
5
2,5-Dimethyltetrahydrothiophene
116.23
2.2
0
1
25.3
0
Farnesylacetic acid
264.40
5.4
1
2
37.3
9
24-Methylenedammarenol
440.70
10.5
1
1
20.23
5
Taxisterone
464.60
1.4
5
6
118.22
5
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxyethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
456.60
4.3
1
5
76.13
3
(3beta,5alpha,8alpha,22e)-Ergosta-6,22-diene-3,5,8-triol
430.70
5.7
3
3
60.69
4
But-2-enylbenzene
132.20
3.5
0
0
0
2
2-Methyloctadecane
268.50
10.2
0
0
0
15
2-Methylheptadecane
254.50
9.7
0
0
0
14
(4-Hydroxyphenyl)acetaldehyde oxime
151.16
0.8
2
3
52.82
2
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