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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
[(1S,3aR,5aR,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
332.40
2.1
0
5
69.67
3
Amphicoside
512.50
-1.4
6
13
197.13
8
(1S,3R,8R,11S,12S,14S,15R,16R)-15-(4,5-dihydroxy-5,6-dimethylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
488.70
6.2
3
4
77.76
5
(1S,4R,5R,10S,12S,13S,16R,21R)-8-(3-hydroxy-3-methylbutan-2-yl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one
470.70
7.1
1
3
46.53
2
CID 101306923
486.70
3.9
2
5
87.13
4
Arvenin II
722.90
1.1
6
13
217.35
10
25-Acetylbryoamarid
720.80
1.5
6
13
217.35
10
[(1S,2S,6S,9R,10R,11S,13S)-9-methyl-5,14-dimethylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-10-yl] (Z)-2-methylbut-2-enoate
344.40
2.7
0
5
65.13
3
[(1R,2R,3S,6S,7R,9S,10S,11S,13R,14R)-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-2-yl] acetate
426.50
-0.3
5
8
136.68
3
(4aR,4bS,6aS,11aS,11bR)-2-hydroxy-1,1,4a,6a,7,11a-hexamethyl-10-prop-1-en-2-yl-2,3,4,4b,6,9,10,11,11b,12-decahydroindeno[2,1-a]phenanthren-5-one
434.70
5.5
1
2
37.3
1
(1R,3S,7S,11S,12S)-12-(4-hydroxy-6-methylhept-1-en-2-yl)-1,4,8-trimethyltricyclo[9.3.0.03,7]tetradec-4-en-8-ol
374.60
6.2
2
2
40.46
5
2,4,4'-Trihydroxy-trans-stilbene
228.24
3.1
3
3
60.69
2
Isohelenin, Inula sp.
232.32
3.4
0
2
26.3
0
Allyl pentasulfide
242.50
3.5
0
5
126.5
8
7,8,9-Trihydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
248.19
0.3
3
6
107.97
0
7-[[(1S,2R,4R,4aS,5R,8aS)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]chromen-2-one
398.50
4.1
1
5
76.74
3
6-c-beta-d-Glucopyranosyl-5,7-dihydroxycoumarin
340.28
-1.3
6
9
160.82
2
8-(2,3-Dihydroxy-3-methylbutyl)-5,6,7-trimethoxychromen-2-one
338.40
1.4
2
7
98.36
6
2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-
253.88
1.6
0
2
26.3
0
Coumaperine
257.33
3
1
2
40.54
3
Malasseziazole A
328.30
4.3
3
3
85.95
2
O-Acetylgalanthamine
329.40
2.4
0
5
48
3
[(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
650.70
0.6
5
14
207.74
15
[(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
650.70
0.6
5
14
207.74
15
[(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
504.50
-1.2
5
12
181.44
11
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