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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
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
448.40
0.9
7
11
190.28
3
1-(2,4-Dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
232.27
3.6
2
3
57.53
3
5-Methyltryptamine
174.24
1.9
2
1
41.81
2
Blumeatin B
332.30
2.1
3
7
105.45
3
methyl (2S)-2-acetyloxy-2-[(1R,3R,4R,5R,10S,12R,14R,15R,16S,18S,19R,20S,22R)-3,15,22-triacetyloxy-5-(furan-3-yl)-16-hydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate
758.70
0.4
1
17
218.86
12
(+)-Kallolide B
312.40
5.3
0
3
39.44
2
2-Phenylpropanenitrile
131.17
2.1
0
1
23.79
1
(1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
456.70
8.4
2
3
57.53
2
(+)-8-Drimen-7-one
220.35
4
0
1
17.07
0
[(1S,2R,5S,6S,7R,8R,9R,12R)-5,12-diacetyloxy-8-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
464.50
2.3
1
9
121.5
7
(6R,7aS,11aS)-8,8,11a-trimethyl-4-propan-2-yl-6-[(4-propan-2-ylphenyl)methyl]-6,7,7a,9,10,11-hexahydrobenzo[i][2]benzoxepine-1,3-dione
448.60
8.3
0
3
47.28
4
2,5-Cyclohexadiene-1,4-dione, 2-(4-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-2-furanyl)-
314.30
2.5
0
5
73.58
6
Echinone
344.40
3.3
1
6
89.9
6
Tinnevellin glucoside
408.40
1.2
5
9
145.91
5
2',3,5,6',7-Pentahydroxyflavanone
304.25
1.5
5
7
127.45
1
1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
274.31
3.9
2
4
66.76
3
Aknadilactam
373.40
0.8
1
6
85.3
3
4-Methoxy-3,5-dimethyl-6-[(1E,3E)-3-methyl-4-(4-nitrophenyl)buta-1,3-dienyl]pyran-2-one
341.40
4.1
0
5
82.58
4
1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
250.25
2.9
0
5
53.99
2
(3aS,6aR,9aR,9bS)-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[8,7-b]furan-9-carbaldehyde
244.28
1.6
0
3
43.37
1
(2S,3R,4R,4aR,6aR,6bS,8S,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3,8,8a-tetrol
476.70
4.2
5
5
101.15
1
(2S,4aS,4bR,8aS,10aS)-7-hydroxy-2,4a,8,8a-tetramethyl-6-oxo-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid
320.40
3.6
2
4
74.6
1
(2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid
318.40
4.1
2
4
74.6
1
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
212.20
-0.8
3
5
86.99
4
2,6,10-Trimethyldodecanoic acid
242.40
6
1
2
37.3
10
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