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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,12R,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-2,4,6-trien-9-one
314.40
2.2
2
3
52.57
1
[(1S,2R,4R,6S,7S,8R,9R,12R)-9-[(2R)-2,3-dimethylbutanoyl]oxy-2,4,12-trihydroxy-2,6,14,14-tetramethyl-10-methylidene-3,13-dioxo-7-tricyclo[10.3.0.04,8]pentadecanyl] benzoate
584.70
3.9
3
9
147.43
7
[(1S,2R,3R,4S,5S,7R,8S,9R,10R,11S)-2,7,8-triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-14-oxo-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-4-yl] propanoate
606.70
1.9
0
12
157.8
12
[(5R,6R,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14-dihydroxy-5-methoxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
542.70
2.5
2
8
119.36
5
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6R,8R,9S,10R,13R,14S,15S)-5,6,14,15-tetrahydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
486.60
1.4
4
7
124.29
2
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
580.60
0.4
5
13
174.99
9
4-[(4R,6R)-6-[(3S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-yl]oxy-4-oxobutanoic acid
572.80
7.3
2
6
93.06
10
[(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
476.40
1
6
11
183.21
8
(2R)-5-hydroxy-2-(3-hydroxy-4-methylpent-4-enyl)-8-(4-hydroxyphenyl)-2-methylpyrano[3,2-g]chromen-6-one
420.50
4.9
3
6
100.13
5
(1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
446.40
-2
6
11
175.37
9
[(1R,2R,3R,4S,5S,7R,8R,9S,10R,14R)-2,8-diacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
540.60
4.4
1
8
116.2
7
methyl (1S,1'R,2R,4'R,5'R,7R)-4-oxo-1'-pentanoyl-5'-propylspiro[3,8,9-trioxatricyclo[5.2.2.01,5]undec-5-ene-2,6'-bicyclo[2.2.2]oct-2-ene]-2'-carboxylate
444.50
3.4
0
7
88.13
8
[(1S,2R,7S,9R,11R,12S,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
512.60
3.6
1
7
102.43
4
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-3a,6,8-trihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
616.70
2.8
3
11
165.89
9
[(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-15-acetyloxy-7-hydroxy-5,9,11,11-tetramethyl-4-(2-methylpropanoyloxy)-1-(2-methylpropanoyloxymethyl)-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate
668.80
5
1
11
151.73
12
(1R)-1-[(2S,4S,5R)-5-ethoxy-4-[(3S,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-methylpropane-1,2-diol
516.80
5.3
3
5
79.15
5
(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
470.70
7.7
1
3
38.69
3
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylpropanoyloxy)-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] pyridine-3-carboxylate
813.80
2.5
0
17
223.29
17
1,3-Benzodioxole, 5-[2-[2,6-dimethoxy-4-(2-propenyl)phenoxy]propyl]-, (R)-
356.40
5.1
0
5
46.15
8
1-(2,7-Dihydroxy-4-methoxyphenanthren-1-yl)-4,6-dimethoxyphenanthrene-2,7-diol
508.50
7
4
7
108.61
4
[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
656.70
3.5
1
12
168.8
12
9,10-Dihydroxy-2,2-dimethyl-12-(3-methyl-6-propan-2-ylidenecyclohex-3-en-1-yl)pyrano[3,2-b]xanthen-6-one
444.50
5.6
2
5
79.9
1
ethyl 3-[(3S,3aS,5aR,6R,7R,9bS)-3-[(E,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-7-(2-hydroxypropan-2-yl)-3a,6,9b-trimethyl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoate
502.80
7.4
2
4
66.76
11
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-benzoyloxy-9-hydroxy-5a,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-3a-carboxylic acid
576.80
9.5
2
5
83.83
5
5-[(1R)-1-[(1S,4S,6S,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
454.60
7.9
3
5
94.83
7
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