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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
4-[(Z)-pentadec-8-enyl]benzene-1,3-diol
318.50
7.4
2
2
40.46
13
(1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol
407.50
0.5
3
6
82.39
3
(1R,2R,3R,4R,5S,6S,8R,12R,13R,16S,19S,20S,21S)-14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,19,21-triol
421.50
0
3
7
91.62
2
[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]methanol
379.40
3.6
1
6
60.39
3
(E)-1-[(2S)-7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one
404.50
6.7
1
4
55.76
7
(E)-1-[(2S)-5-hydroxy-7-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
404.50
6.7
1
4
55.76
7
(1S,2R,4R,5S,7S,11R,12R,15S,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
480.70
4.8
4
6
107.22
5
methyl (1S,2R,3R,6R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
682.70
-0.9
6
16
245.04
8
(3R,5R)-5-[7-[(2S,5S)-5-[(1S,4S)-1,4-dihydroxy-4-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one
638.90
7.8
3
8
122.52
25
(4R)-3,5,5-trimethyl-4-[(3S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
372.50
0.3
4
7
116.45
6
3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
446.40
0.6
5
10
159.05
5
(1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
175.18
-2.4
5
5
92.95
0
(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,13S,14bS)-10-hydroxy-2-(hydroxymethyl)-13-methoxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
502.70
5.4
3
5
86.99
3
3-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
756.70
-2.5
12
20
328.35
9
(14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
1056.80
2.1
18
27
478.57
3
(14R,15S,19R)-19-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-14-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
1056.80
2.1
18
27
478.57
3
[(1R,2R,3S,4R,6R)-4-[(2R)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-3-hydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
654.60
-1.4
10
16
265.52
12
(4R,4aR,6aS,6aS,6bR,8aS,12aS,14aS,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
442.70
8.2
1
2
37.3
1
[(6S,7R)-7-phenyldodeca-2,4,8,10-tetrayn-6-yl]benzene
306.40
6.1
0
0
0
5
methyl (1S,4aS,6S,7R,7aS)-6,7-dihydroxy-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
406.40
-2.6
6
11
175.37
5
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[(2S,3S,5S,6S)-5-hydroxy-6-methyl-4-oxo-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
590.50
0
7
14
225.81
5
(12S)-17-methoxy-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(22),2,4(8),9,16(23),17-hexaene
339.30
2.6
1
6
58.18
1
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
604.80
4.7
5
8
136.68
4
(1R,2R,4R,6S,7S,10R,11S)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
422.50
3.7
1
5
80.04
1
(7S,10S,13S,19S,22S,25S,28S,29R)-25-[(2R)-butan-2-yl]-10-[3-(diaminomethylideneamino)propyl]-9,12,18,21,24,27-hexaoxo-28-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-22,29-di(propan-2-yl)-2,4,8,11,17,20,23,26,35-nonazahexacyclo[17.16.2.12,5.130,34.013,17.033,36]nonatriaconta-1(36),3,5(39),30(38),31,33-hexaene-7-carboxylic acid
1027.20
1.1
11
12
359.32
11
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