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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
Aglinin A
490.70
6.5
3
5
86.99
6
beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl
648.80
4.9
6
10
173.98
5
N-benzoyl-4-hydroxyanthranilic acid
257.24
3.2
3
4
86.63
3
beta-D-Glucopyranoside, 7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-4,7-dimethylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,7alpha,7aalpha))-
404.40
-1.8
5
10
155.14
5
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-
250.25
2.4
0
3
43.6
1
10-Hydroxycanthin-6-one
236.22
2.1
1
3
54.6
0
5-Epideoxyloganic acid
360.36
-0.4
5
9
145.91
4
Cleistanthoside A
702.70
1.4
4
16
199.52
10
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
358.34
-0.9
4
9
134.91
6
(3S,3aS,6aR,9aR,9bS)-3-(methoxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
262.34
2
0
3
35.53
2
rel-(3r,3'S,4r,4's)-3,3',4,4'-tetrahydro-6,6'-dimethoxy[3,3'-bi-2h-benzopyran]-4,4'-di-ol
358.40
1.9
2
6
77.38
3
Olean-12-en-29-oic acid, 3,23-dihydroxy-, (3beta,4beta,20alpha)-
472.70
6.8
3
4
77.76
2
[(1S,3R,6S,8R,12S,13R,15R,16R,17R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
692.80
1
6
12
200.28
9
[(1S,3R,6S,8R,12S,13R,15R,16R,17R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
674.80
2
4
11
172.35
8
[(1S,3R,6S,8R,12S,15R,16R,17R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
658.80
2.5
3
10
152.12
8
(3S,4aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,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
7.6
2
2
40.46
1
Zamanic acid
618.80
8.2
3
6
104.06
6
[(1R,2S,3R,4R,7S,9R,10R,11R,14S)-2,3,10-triacetyloxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-7-yl] (E)-3-phenylprop-2-enoate
622.70
4.1
0
10
134.8
10
8-hydroxy-1-methoxy-3-methyl-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
446.40
1.2
5
10
162.98
4
[3-(2-Methoxyphenyl)-8-methyl-4-oxochromen-7-yl] acetate
324.30
3.3
0
5
65.74
4
7-Methoxy-3-(2-methoxyphenyl)-8-methylchromen-4-one
296.30
3.5
0
4
48.67
3
Gliricidin
300.26
2.1
3
6
100.13
2
(1R,3aR,4R,8aS)-1-methoxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-ol
252.39
2.6
1
2
29.46
2
5,2'-Dihydroxy-6,7,8,3'-tetramethoxy flavone
374.30
2.9
2
8
107.59
5
(+)-(r)-5-Hydroxy-6-hydroxymethyl-7-methoxy-8-methylflavanone
314.30
2.6
2
5
75.99
3
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