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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
(2R)-5,8-dihydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
316.30
2.7
2
6
85.22
3
(3R)-7-hydroxy-3-(6-hydroxy-2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
346.30
2.3
2
7
94.45
4
(4S)-4-(6-aminopurin-9-yl)-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
295.30
0.8
2
6
106.92
1
[(1S,5R,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (2S,3R)-3-chloro-2-hydroxy-2-methylbutanoate
416.90
3.1
2
7
110.13
9
[(3aR,4R,6E,9S,10Z,11aR)-9-(2-hydroxy-3-methylbutanoyl)oxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] furan-3-carboxylate
458.50
3.3
1
8
112.27
7
1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]propan-1-one
518.50
-1.8
6
13
193.83
9
(1S,4S,6S,7S,9S,10S,13R)-6,7-dihydroxy-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
334.40
3.7
3
4
77.76
1
4,5,14,15,16-pentamethoxy-10-methyl-6-[4-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
724.80
7.5
0
11
89.55
12
[(4aR,5R,6S,8R,8aS,9aR)-8-hydroxy-9a-methoxy-3,5,8a-trimethyl-2-oxo-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] acetate
338.40
1.5
1
6
82.06
3
methyl (1R,12S,14R,15S,18R)-15-ethyl-12-[(E)-[(13S,14E)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-ylidene]methyl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
602.80
6
2
4
64.36
4
(1S,2R,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
488.60
2.3
3
7
116.59
2
[(1R,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R)-2-[(1S)-1-hydroxy-2-methylprop-2-enyl]-5-oxo-2H-furan-4-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate
594.70
5.3
2
8
119.36
6
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[4-[(3S,4R)-4-(hydroxymethyl)dioxetan-3-yl]-2,6-dimethoxyphenyl]chromen-4-one
508.50
2.9
3
10
137.05
7
methyl (1R,12S,14R,15S,18R)-15-ethyl-12-[(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
618.80
7.4
2
4
64.36
5
[(1R,3E,5R,7S,10R,11Z,13R,14R)-1-hydroxy-3,6,6,10,14-pentamethyl-2,9-dioxo-13-tricyclo[10.3.0.05,7]pentadeca-3,11-dienyl] acetate
374.50
2.4
1
5
80.67
2
[(1R,5S,6S)-5-hydroxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (Z)-2-methylbut-2-enoate
282.33
1.9
2
5
83.83
5
[(1R,2S,4S,6R,7R,9S,11R,12S,14S,16R,20R,23S,25R)-12,14-dihydroxy-4',7,22,22-tetramethyl-5',18-dioxospiro[3,10,17,21-tetraoxaheptacyclo[12.11.0.02,4.02,11.06,11.016,20.016,23]pentacosane-9,2'-furan]-25-yl] (Z)-2-methylbut-2-enoate
614.70
1.8
2
11
150.35
3
(1R,2R)-1-hydroxy-7,13-diazatricyclo[11.3.1.02,7]heptadecane-6,9,17-trione
294.35
-0.7
1
4
77.92
0
[(10R,11R,12R,13S,15R)-13-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
890.70
3.5
13
22
377.42
9
[(1R,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R)-2-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-5-oxo-2H-furan-4-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate
626.80
4.5
2
9
128.59
7
(5S)-5-[(5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one
430.60
5.2
1
4
63.6
1
(4aS,6aS,6bR,8aS,10S,12S,12aR,14aS,14bS)-10-acetyloxy-12-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
514.70
7.4
2
5
83.83
3
methyl (1S,2S,6S,8aR)-2-[3-[(2S,3R,4R)-2,4-dimethyl-5-oxooxolan-3-yl]propanoyl]-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylate
536.70
2.5
1
9
117.59
9
(4S)-4-(6-aminopurin-9-yl)-5,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
311.30
1
3
7
127.15
1
(4aS,6aS,6bR,8aS,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-12-oxo-3,4,5,6a,7,8,8a,10,11,13,14,14b-dodecahydro-1H-picene-4a-carboxylic acid
470.70
6.5
2
4
74.6
1
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