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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
[(2S,3R,4S,5S)-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
1063.20
-1.6
12
23
359.97
17
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
1273.40
1.2
14
27
426.73
18
Capsicoside G
1407.50
-4.6
21
34
544.82
22
CID 11115931
97.18
3.5
0
0
0
3
(3S,4R)-3,4-dihydroxy-3-methyloxolan-2-one
132.11
-1.2
2
4
66.76
0
2,3,4,6-Tetra-O-methyl-alpha-D-glucose
236.26
-1
1
6
66.38
5
5-Methoxy-2,3-dihydro-1-benzofuran
150.17
1.9
0
2
18.46
1
Linalool oxide B
170.25
1.4
1
2
29.46
2
(3S)-Butylphthalide
190.24
2.8
0
2
26.3
3
(S)-2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
202.33
5.4
0
0
0
0
(1S,3R,6R,8S,9S)-3,9-dimethyl-6-prop-1-en-2-yl-2-oxatricyclo[6.3.0.01,3]undecane
220.35
3.9
0
1
12.53
1
Cyclomyltaylan-5alpha-ol
220.35
3.8
1
1
20.23
0
(1R,2R,5R,7S,8S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
222.37
4.1
1
1
20.23
0
(3S,3aS,5aS,9aS,9bS)-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2-one
232.32
3.4
0
2
26.3
0
(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one
235.36
4.1
0
1
20.31
6
Eudesm-4(15)-ene-3alpha,11-diol
238.37
2.3
2
2
40.46
1
Estafietin
246.30
1.9
0
3
38.83
0
(1S,2S,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
252.35
2.7
1
3
46.53
1
(3S,3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
268.35
1.6
2
4
66.76
0
Nimbiol
272.40
4.9
1
2
37.3
0
[2-(1-Hydroxy-2-methoxypropan-2-yl)-5-methylphenyl] 3-methylbut-2-enoate
278.34
2.7
1
4
55.76
6
(3S,3aR,4S,6aR,8S,9R,9aS,9bS)-4,8-dihydroxy-3-methyl-6-methylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-9,2'-oxirane]-2-one
280.32
-0.1
2
5
79.29
0
(1R,2R,4S,5R,8S,9R,12S,13R)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one
282.33
1.8
1
5
64.99
0
Alseodafuranone
284.40
5.5
0
3
35.53
11
Methyl 4-(5-formyl-2-methoxyphenoxy)benzoate
286.28
2.7
0
5
61.83
6
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