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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
[(1S,3R,4S,5R,7S,8S,9R,11S,12S,16R)-12-(furan-3-yl)-5-hydroxy-7-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-4-yl] 2-methylpropanoate
590.70
2.6
2
11
158.8
7
(2S,3R,5R,11bS)-3-ethyl-5-hydroxy-2-[[(1S)-6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium-9-ol;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
705.60
6
15
175.17
4
3-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-3-oxopropanoic acid
572.80
6.5
2
7
102.29
9
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
634.80
7.5
4
7
124.29
6
Methyl 4-(2-ethoxy-2-oxoethyl)-11,12-dihydroxy-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraene-6-carboxylate
378.30
0.5
2
10
149.57
6
ethyl (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
320.25
0.3
3
8
134.27
3
(2R,3R,5R,8R,9S,10R,13R,14S,15R,17R)-2,14,15-trihydroxy-3-[(2S,3S,5R)-3-methoxycarbonyl-3,5-dimethyloxolan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
592.70
1.2
4
11
169.05
6
methyl (2S)-2-[(1S,3R,4R,5S,7S,8S,9R,11S,12S,16R)-4,5-diacetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]-2-hydroxyacetate
604.60
2.1
1
12
164.87
8
[(1S,3R,4E,6R,7S,9S,10R,11S)-7-acetyloxy-3,6,9-trihydroxy-11-(hydroxymethyl)-11-methyl-8-methylidene-4-bicyclo[8.1.0]undec-4-enyl]methyl 3-phenylpropanoate
474.50
0.2
4
8
133.52
9
(2S,3R)-3-hydroxy-2-[1-[(1S,2S,5R,6R,9R,10R,13R,15R)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one
484.70
6.3
2
5
75.99
2
methyl 3-[(1S,4R,5R,8S,9S,12S,13R)-5-[(Z,2R)-1,7-dihydroxy-6-methylhept-5-en-2-yl]-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
486.70
7.5
2
4
66.76
11
[(1S,3S,4S,6S,9R,10S,12R,13S,14R,15R,16S)-1,14-diacetyloxy-9,10-dibenzoyloxy-15,16-dihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl] benzoate
826.80
4.3
2
15
218.63
13
[(1R,3R,4S,5R,7S,8R,9S,10R,12S,13S)-10-acetyloxy-13-(furan-3-yl)-5,9-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] 2-methylpropanoate
630.70
2.1
2
11
158.8
9
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aS)-1,3a,9,10-tetraacetyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
656.70
4.1
1
12
168.8
11
(3S,4aR,6aR,6bS,8S,14aR,14bR)-4,4-bis(hydroxymethyl)-8-methoxy-6a,6b,11,12,14b-pentamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicen-3-ol
468.70
5.3
3
4
69.92
3
cyclo[Arg-Asn-Gly-Val-Ile-Pro-Cys(1)-Gly-Glu-Ser-Cys(2)-Val-Phe-Ile-Pro-Cys(3)-Ile-Ser-Thr-Leu-D-Leu-Gly-Cys(1)-Ser-Cys(2)-Lys-Ser-Lys-Val-Cys(3)-Tyr]
3256.90
-4.6
42
49
1352.03
40
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-11-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
650.80
7.1
5
8
144.52
6
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,10,13-triacetyloxy-11-benzoyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
719.80
4.7
1
13
181.69
12
[(1R,2R,3aR,5S,6E,10R,11S,13R,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
670.70
3
1
13
185.87
11
3-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
152.23
1.9
0
1
17.07
2
[(9Z,16R)-16-hydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
316.40
5
1
3
46.53
13
(3S,4aR,6aR,6bS,8S,14aR,14bR)-4,4-bis(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-3,8-diol
454.60
4.7
4
4
80.92
2
2-[(Z,2S)-2-hydroxynonadec-14-enyl]benzene-1,4-diol
390.60
8.8
3
3
60.69
17
(1aR,7bS)-7-hydroxy-1a-methyl-5-(2-phenylethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-6-carboxylic acid
324.40
4.4
2
4
66.76
4
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
346.37
-0.8
5
8
136.68
4
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