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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,3S,3aR,6R,7S,7aR)-3-hydroxy-7-[(2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3,3a,6,7-tetramethyl-1,2,4,5,6,7a-hexahydroindene-2-carboxylic acid
382.40
2.1
4
7
124.29
4
(E)-4-[(1S,3R,4aS,5S,8aR)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
292.40
2.3
2
3
57.53
3
(5S,8R)-8-hydroxy-3-methoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
355.50
4.5
2
4
62.32
7
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
838.80
-1.5
8
21
309.26
14
1-[(1S,3R,3aS,4S,6R,6aS)-3,6-bis(4-hydroxyphenyl)-4-[4-(4-hydroxyphenyl)-2-oxobutyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-4-(4-hydroxyphenyl)butan-2-one
622.70
4.9
4
8
133.52
12
1-[(1S,3R,3aS,4S,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-4-[4-(4-hydroxyphenyl)-2-oxobutyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-4-(4-hydroxyphenyl)butan-2-one
682.80
4.8
4
10
151.98
14
(1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carbaldehyde
304.50
4.3
1
2
37.3
5
(1R,4R,5R)-4-(dimethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
212.28
1.4
0
3
35.53
3
[(1Z,3S,3aS,5R,7S,7aS)-4-(azidomethyl)-1-ethylidene-4-hydroxy-3-(2-methylbutanoyloxy)-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
489.60
6
1
8
138.66
11
ethyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
646.80
5.2
4
9
142.75
5
[(3aR,5R,7S,7aS)-3-hydroxy-1-(1-methoxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
378.50
3.5
1
5
72.83
7
(2beta,3beta,5beta)-2,3-Diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
516.60
1.4
2
9
140.34
6
(1R,2R,5S,10R,11R,14R,15R,18S,21R,22R,23R)-2,7,7,10,14,15-hexamethyl-21-prop-1-en-2-yl-6,8-dioxahexacyclo[12.11.0.02,11.05,10.015,23.018,22]pentacosane-18-carboxylic acid
512.80
8.5
1
4
55.76
2
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17,19-diacetyloxy-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate
626.70
3.8
1
10
130.73
8
(3S,4S)-4-[3-(furan-3-yl)propanoyl]-3-(2-hydroxybutanoyl)-2,2,4-trimethylcyclohexan-1-one
348.40
1.9
1
5
84.58
7
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(tritritiomethyl)pyrimidine-2,4-dione
248.25
-1.2
3
5
104.55
2
Psoberan
402.40
0
7
95.93
1
Propylcyclopentane
112.21
4
0
0
0
2
Aristolactam BII
279.29
3.3
1
3
47.56
2
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
638.90
4.3
7
9
160.07
7
2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
194.27
2.3
0
2
26.3
2
Cyclohexanecarboxaldehyde
112.17
1.8
0
1
17.07
1
N-isobutyleicosadienamide
363.60
9.8
1
1
29.1
18
Pannarin
362.80
4.3
1
6
82.06
2
(2S)-2-amino-3-[hydroxy-[(2R)-3-octadeca-9,12-dienoyloxy-2-octadeca-9,12,15-trienoyloxypropoxy]phosphoryl]oxypropanoic acid
782.00
8.1
3
11
181.49
39
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