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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
[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
576.80
11.1
1
4
55.76
10
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid
276.14
-4.5
7
10
194.79
7
Metacetamol
151.16
0.7
2
2
49.33
1
(3R,3aR,7aS)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
152.23
1.9
0
1
9.23
0
Isovanillin
152.15
1
1
3
46.53
2
Adipedatol
428.70
8.5
1
2
29.46
0
[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] (E)-2-methylbut-2-enoate
700.70
2.3
1
14
191.17
11
2,2-Diethoxyethanol
134.17
0.1
1
3
38.69
5
Octahydro-4,8a-dimethyl-4a(2H)-naphthol
182.30
3.3
1
1
20.23
0
Cycleanine
622.70
6.7
0
8
61.86
4
Bendazol
208.26
3.2
1
1
28.68
2
2-Hydroxyisodavanone D
252.35
1.9
1
3
46.53
5
Alfalone
298.29
2.8
1
5
68.9
3
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
414.70
10.3
1
2
29.46
12
2,3-Dihydropodocarpusflavone A
554.50
5.1
5
10
166.89
4
(2s)-8-Formyl-5-hydroxy-7-methoxy-6-methylflavanone
312.30
2.9
1
5
72.83
3
(2R,5S,7R,10R,11R,15R,17S)-15-hydroxy-2,7,10,11,20,21-hexamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one
646.70
2.8
1
11
120.37
8
4H-1-Benzopyran-4-one, 3,5,6,7,8-pentahydroxy-2-(4-methoxyphenyl)-
332.26
2.1
5
8
140.59
2
6,8-Dihydroxykaempferol
318.23
1.8
6
8
151.59
1
(E)-1-(2,3,4,5,6-pentahydroxyphenyl)-3-phenylprop-2-en-1-one
288.25
2.5
5
6
118.22
3
(1S,2S,3R,9S,17S)-3-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
262.35
0.6
1
3
43.78
0
(1R,2R,9S,15S,17S)-15-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
262.35
0.7
1
3
43.78
0
1,3,7-Trihydroxy-2-methoxyxanthone
274.22
2.4
3
6
100.13
1
Mecambrine
295.30
2.4
0
4
38.77
0
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a,6b,12a-trimethyl-2,9-dimethylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
424.60
5
2
3
57.53
1
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