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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,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,6S,8aS)-5,6-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
-0.4
6
8
139.84
4
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
418.40
-1.7
5
11
172.21
6
I(2)-D-Glucopyranoside, (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenyl 6-O-D-apio-I(2)-D-furanosyl
474.50
-2.1
7
12
187.76
9
Butyl 2-furoate
168.19
2.4
0
3
39.44
5
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
486.70
6
3
5
94.83
2
(1S,4aS,6S,7S,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
496.50
0.2
6
12
192.44
7
[(2S,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
586.50
1.6
9
15
257.04
7
2''-Oxovoruscharin
603.70
1.3
3
10
165.92
2
Quinovin
632.80
4.8
5
9
153.75
4
[(1S,2R,4S,6R,9E,11S,12S)-11-benzoyloxy-12-(benzoyloxymethyl)-4,9-dimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl] pyridine-3-carboxylate
649.80
7.1
0
8
104.32
10
[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone
666.70
6.5
8
10
192.05
8
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
704.70
-0.7
6
16
245.04
8
(2R,3R,4R,5R,6S)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol
726.90
2.5
8
12
198.76
9
Ficaprenol 11
767.30
19.6
1
1
20.23
31
(3S,10R,13R,17R)-3-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(1S)-1-[(5S,6R)-5-methyl-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
885.00
1.2
9
17
263.75
9
(6E)-8-oxogeraniol
168.23
1.5
1
2
37.3
5
4S-Shinanolone
192.21
1.5
2
3
57.53
0
Isotadeonal
234.33
3.2
0
2
34.14
2
Tetrahydroaplotaxene
236.40
8.5
0
0
0
13
(2S,3R)-2,3-dihydroxy-1,3-diphenylpropan-1-one
242.27
1.3
2
3
57.53
4
dodeca-2E,4E,8Z,10Z-tetraenoic acid isobutylamide
247.38
4.2
1
1
29.1
8
Lansiumamide A
249.31
3.6
1
1
29.1
4
Echinocidin B
252.35
1.6
3
3
60.69
1
Lupulone F
264.32
2.8
2
4
66.76
3
methyl (E)-2-[(1S)-1-hydroxy-2-oxopropyl]dodec-2-enoate
284.39
4.2
1
4
63.6
12
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