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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,13S)-5,13-dimethoxy-12-(2-methoxyphenyl)-6-methyl-14-oxa-7-azatetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),5,9-tetraen-4-one
407.50
3.8
1
6
69.78
4
4-[[2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylphenyl]methyl]-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
640.90
13
4
4
80.92
14
2,6-Dimethylstyrene
132.20
3.4
0
0
0
1
(1R,9S,10R,11R,16R)-11-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
274.36
0.5
3
3
65.12
0
[(1S,4R,5R,6S,8R,9S,10S,13S,14R,15S,17R,19R,22R)-14-formyl-10,17-dimethyl-9-(6-oxopyran-3-yl)-7,16,18,21-tetraoxaheptacyclo[15.3.1.115,19.01,14.04,13.05,10.06,8]docosan-22-yl] acetate
512.50
1.6
0
9
113.8
4
(4aR)-8-hydroxy-5-[2-[(2R)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
374.40
2
1
6
89.9
4
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-12-[(E)-2-methylbut-2-enoyl]oxy-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-14-yl] benzoate
658.80
5.6
0
9
110.5
10
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1105.20
-0.3
14
24
391.2
12
[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl acetate
880.80
-0.9
7
22
315.33
16
(3aR,4aR,8R,8aS,9aS)-4a,8-dihydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
264.32
1
2
4
66.76
0
[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]methyl benzoate
274.35
2.8
1
3
46.53
5
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
448.40
1.3
6
10
166.14
7
[(2S,3R,5S,8R,9S,10S,13R,14S,17R)-2,5-diacetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
558.60
1.9
1
10
146.41
8
4-[3-[(1S,2S)-2-(2-hydroxybutanoyl)-1,3,3-trimethylcyclohexyl]-3-oxopropyl]-2H-furan-5-one
350.40
2.8
1
5
80.67
7
(2R,3'R,4aS,5'R,6S,8aS)-6-ethenyl-3',5'-dihydroxy-2',2',6,8a-tetramethylspiro[3,4,4a,5,7,8-hexahydronaphthalene-2,1'-cyclopentane]-1-one
320.50
3.8
2
3
57.53
1
(2R)-6-methyl-2-[(3S,5R,9R,10R,12R,13S,14R,16S,17S)-3,12,16-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
488.70
5.1
4
5
97.99
5
(1S,2S,4S,9S,12S,13R,16S,18R,19R)-16-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,18,19-trihydroxy-7,9,13-trimethyl-5-[(2R)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]pentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one
1225.30
-5.4
17
28
453.28
15
(4aR)-8-hydroxy-5-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
374.40
2
1
6
89.9
4
6-[3-hydroxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5,7-dimethoxychromen-2-one
470.50
-0.2
5
11
168.28
8
[(3aR,8R,9E,11aS)-10-methyl-3,6-dimethylidene-2,5-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-8-yl] acetate
304.34
1.7
0
5
69.67
2
[(1S,2S,4R,11R,12S,14S,16R)-16-methyl-3-oxa-7-azapentacyclo[9.6.0.01,7.02,4.02,14]heptadecan-12-yl] 3-(4-hydroxyphenyl)propanoate
411.50
3.8
1
5
62.3
5
(9Z,12Z,15Z)-N-[(3,4-dimethoxyphenyl)methyl]octadeca-9,12,15-trienamide
427.60
7.1
1
3
47.56
17
4-[2-[(6R,8aR)-4,6-dihydroxy-2,5,5,8a-tetramethyl-3-oxo-7,8-dihydro-6H-naphthalen-1-yl]ethyl]-2H-furan-5-one
346.40
2.3
2
5
83.83
3
3-[(1S)-2-[(1S,2R,4aR,7R,9aR)-7-hydroxy-1,2,4a-trimethyl-5-oxo-2,3,4,6,7,8,9,9a-octahydrobenzo[7]annulen-1-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
366.40
1.6
3
6
104.06
3
(1S,2R,9R,10R,12S,14S,16R)-16-methyl-11-oxa-6-azapentacyclo[8.7.0.01,6.02,12.010,14]heptadecan-9-ol
263.37
1.7
1
3
32.7
0
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