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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
(3R,5R,10S,13R,14S,17R)-3-hydroxy-17-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
652.90
3.4
7
10
177.14
9
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(cyclopentylamino)acetate
439.50
5.3
1
6
77.77
8
(1S,4S,5R,6S,8R,9S,10S,11R,13R,14R,16R,17S,18R,19S,20R)-6,10,11,16-tetrahydroxy-9-(hydroxymethyl)-4,5,9,13,19,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
520.70
3.5
5
7
127.45
1
[(1aR,4R,4aR,7S,7aS,7bR)-4,7-dihydroxy-1,1,7-trimethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-4-yl]methyl acetate
296.40
1.9
2
4
66.76
3
2-(hydroxymethyl)-10-methoxy-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
296.32
0.9
2
3
67.25
2
[(3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-dihydroxy-3-(methoxymethyl)-6,10-dimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydro-3H-cyclodeca[b]furan-5-yl] (Z)-2-methylbut-2-enoate
510.60
2
2
10
145.66
8
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate
724.70
-0.6
7
18
262.73
14
(3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
418.40
2.6
2
8
103.68
8
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(Z)-2-phenylethenyl]benzene-1,3-diol
348.50
7.3
2
2
40.46
7
(2E)-2-[(1R,3R,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
502.70
2.9
3
6
96.22
5
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl N-(2-aminoethyl)carbamate
400.50
3.3
2
6
103.79
7
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl pyridin-2-ylmethyl carbonate
449.50
5.3
0
7
87.86
8
[(3aR,4S,6aR,9R,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
346.40
2.6
1
5
72.83
3
[(2S,3R,4R,5R,6S)-2-[[(1R,3S,5R,6R,7S,9S,11S,12S,13R,25S,27R,29R,30S,31S,32R,34S,36S,37R,38R,39R,40R)-6,12,30,31,37,39-hexahydroxy-5,11,29,36-tetramethyl-38-[(E)-2-methylbut-2-enoyl]oxy-15-oxo-25-propyl-2,4,8,10,14,26,28,33,35-nonaoxapentacyclo[32.2.2.13,7.19,13.027,32]tetracontan-40-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
1139.30
2
9
25
353.27
11
(1R,5R,6S,13S,21R)-18-[(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-yl]-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol
1151.00
4.3
18
24
419.52
5
(3R,5R,10S,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,10,13-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
815.00
1.8
10
15
256.29
12
methyl (1Z,5E)-4,4,8-trimethyl-7-oxocycloundeca-1,5-diene-1-carboxylate
264.36
3.8
0
3
43.37
2
(2R,3S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
408.50
6
3
5
86.99
6
(1S,4S,5R,8R,10S,11R,13R,14R,16R,17S,18R,19S,20R)-10,11,16-trihydroxy-9,9-bis(hydroxymethyl)-4,5,13,19,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
520.70
3.6
5
7
127.45
2
3-[(3R)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,2-diol
356.40
4.5
3
5
79.15
4
(1R,6R,8S,11R,12R,15R,16R)-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid
785.00
2.4
9
14
236.06
11
methyl (2Z)-2-[(1R,13E,18S,19S,21R,22S,23S,25S,26S,28R,29S,30R,36R)-25-hydroperoxy-18,30-dihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.125,29.01,23.04,34.019,21.022,36.026,28.033,37]heptatriaconta-4(34),13,33(37)-trien-32-ylidene]propanoate
764.80
-0.7
3
15
218.49
3
(3R,5R,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
694.90
3.4
6
11
183.21
11
[(3aR,4S,6E,9S,10Z,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
346.40
2.5
1
5
72.83
3
(1aS,7aS)-7a-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]-4,6-dihydroxy-1a-(4-hydroxyphenyl)oxireno[2,3-b]chromen-7-one
732.60
2.3
10
17
289.8
6
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