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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-Benzylpyridine
169.22
2.8
0
1
12.89
2
5-Methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
260.28
2.9
0
4
48.67
1
(3S,4R,6S)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
333.69
4.1
1
1
20.23
0
(1S,4R,9R,10R,13R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
306.50
4.9
2
2
40.46
1
(1S,4R,9R,10R,13R)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one
274.40
5.5
0
1
17.07
0
Luteoxanthin
600.90
9.4
2
4
62.22
9
4-methoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid
318.28
-0.2
3
6
125.56
6
Neorogioldiol
464.30
5
2
2
40.46
2
(1R,1'S,2S,3R,4aS,4bR,8S,10aS,10bR,12aR)-1,1'-bis(hydroxymethyl)-1,1',4a,10a,10b-pentamethylspiro[3,4,4b,9,10,11,12,12a-octahydro-2H-chrysene-8,3'-cyclopentane]-2,3-diol
458.70
5.6
4
4
80.92
2
(1S,4S,5R,8R,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,10-dione
454.70
6.1
0
3
43.37
0
(3beta,16alpha)-13,28-Epoxyoleanane-3,16-diol
458.70
6.7
2
3
49.69
0
(2I+/-,9I(2),10I+/-,16I+/-,23E)-2,16,20,25-Tetrahydroxy-9-methyl-19-norlanosta-5,23-diene-3,11-dione
502.70
2.9
4
6
115.06
4
Rhusflavone
542.50
4.5
6
10
173.98
3
Succedaneaflavanone
542.50
4.5
6
10
173.98
3
methyl (12aS,12bS)-2,3-dimethoxy-7-oxido-6,8,10,11,12,12b-hexahydro-5H-isoindolo[1,2-a]isoquinolin-7-ium-12a-carboxylate
359.40
1.8
0
5
67.82
4
5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone
340.40
4.3
3
5
86.99
3
ugonin J
422.50
5.4
4
6
111.13
3
2-(3,4-Dihydroxyphenyl)-6-[[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-one
436.50
5.7
3
6
100.13
4
(3aR,5aS,6S,7R,9aS,9bS,11aS)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol
318.40
2.5
2
3
49.69
1
(4aS,10R,10aS)-10-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
330.50
5.4
1
3
46.53
2
6-Hydroxysugiol
316.40
5.1
2
3
57.53
1
(4aS,10aR)-1,2,3,4,4a,10a-Hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9,10-phenanthrenedione
314.40
5
1
3
54.37
1
(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
442.70
7.6
2
2
40.46
1
(3R,4aR,4bR,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-ol
288.50
5.5
1
1
20.23
1
(2R,3R)-2-[3,4-dihydroxy-2-(2-hydroxyethylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
366.40
0.2
6
8
155.91
4
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