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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
(4aR,9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-1,2,4a,5,8,9-hexahydronaphtho[2,1-f][1]benzofuran-3,6-dione
344.40
3.3
2
5
83.83
0
[(3aR,4R,7R,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
420.50
0.8
2
8
119.36
6
(2S,3S)-6-[(E)-2-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)ethenyl]-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-3,8-diol
480.60
5.4
4
6
99.38
5
(2S)-1-[(5aR,8R,9aR)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzofuran-4-yl]-2-methylbutan-1-one
358.50
5.4
1
4
55.76
5
[(4R,4aR,5R,6S,8R,8aS,9aR)-4,8,9a-trihydroxy-3,5,8a-trimethyl-2-oxo-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] acetate
340.40
-0.1
3
7
113.29
2
(1S,4S,5R,9S,10S,12S,13R)-5-formyl-12-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
332.40
3.2
2
4
74.6
2
[(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2S,5R,6S)-2-(hydroxymethyl)-6-methylbicyclo[3.1.1]heptane-6-carboxylate
646.70
0.4
5
13
190.67
11
(3aS,4R,5Z,9E,11aS)-4-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one
266.33
0.7
2
4
66.76
1
(5S,7S,8R)-7-methoxy-3-methyl-8-[(1S,3S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
494.70
6.9
0
5
61.83
2
methyl (9S,11bS)-7,11-dihydroxy-4,9,11b-trimethyl-6-oxo-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-3-carboxylate
370.40
3.2
2
6
93.06
2
(9S,11bS)-7,11-dihydroxy-3-(hydroxymethyl)-4,9,11b-trimethyl-8,9-dihydro-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
356.40
2
3
6
104.06
1
2-[4-[(3R,4S)-4-(hydroxymethyl)dioxetan-3-yl]-2,6-dimethoxyphenyl]-3-methoxy-5-prop-2-enylphenol
388.40
3.1
2
7
86.61
8
(2S,3R,4S,5S,6R)-2-[2-[(1R,2S,3R,4S)-2-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-bis(4-hydroxyphenyl)cyclobutyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
812.80
0.5
14
18
320.14
10
(1S,13S,16R,18S)-18-methoxy-15-methyl-12-(3-methylbutyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one
398.50
3.3
0
5
51.24
4
(4aR,6aS,6aS,6bR,8aS,12aR,14aS,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,6b,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
426.70
9.8
0
1
17.07
0
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,3S,4R,6S)-4-hydroxy-6,9-dimethyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]oxan-2-yl]methyl benzoate
464.50
-0.3
4
10
151.98
6
N-[1-[(5R,6S)-5,6-dihydroxy-1,3,3,4a-tetramethyl-4,7-dioxo-2,5-dihydrocyclopenta[c]pyridin-6-yl]-2-methylpropan-2-yl]acetamide
352.40
0.3
4
6
115.73
3
(1S,13S,16S,18S)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-11,14-dione
356.40
1.1
0
5
68.31
1
(2R,9S,11bS)-2,7,11-trihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
342.40
2.3
3
5
86.99
0
(1S,4S,5R,7S,9S,10R,13R,14S)-7-hydroxy-5-methoxycarbonyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
364.50
3.8
2
5
83.83
3
(6S)-4-methoxy-7-methyl-6-[[4-[(4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-6-yl)oxy]phenyl]methyl]-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
708.80
7.3
0
11
89.55
10
(1S,3R,5S,7R,9S,10R,12R,14R,15S,18R,19R,20R,22S,23R)-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)spiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-14-carbaldehyde
603.70
0.4
3
11
169.41
2
(3S,8S)-3,5,8-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-6-(2-methylpropanoyl)-3,4-dihydrochromen-7-one
364.40
2.4
3
6
104.06
4
(1S)-1-[[4-[[(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
682.80
6.3
1
10
91.32
10
[(3aR,4R,6E,9S,10Z,11aR)-6,10-dimethyl-4-(3-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
462.50
1.9
2
8
119.36
9
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