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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,5S)-5-[(1R,2R,3S,8R,10R,11R,15S,16S)-3,10-diacetyloxy-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-15-yl]-2-oxooxan-3-yl] acetate
602.70
4.6
0
10
131.5
7
[(1S,3bR,4R,5aR,10aR,10bR,12aS)-1-[(3S,5R)-5-hydroxy-6-oxooxan-3-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-4-yl] acetate
500.60
4.7
1
7
99.13
3
(3S,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
442.70
7.6
2
2
40.46
0
DL-Homophenylalanine
179.22
-1.2
2
3
63.32
4
5-[6-Hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
446.60
8.7
3
4
73.83
7
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
446.60
3.9
2
5
75.99
0
Kenposide A
448.50
-0.8
6
10
158.3
9
(2S,3R,4S,5S,6R)-2-[4-[(1R,2R)-1,3-dihydroxy-2-[5-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
538.50
-0.3
7
12
187.76
12
(3R,4aS,6aS,10aR,10bR)-3,4a,7,7,10a-pentamethyl-3-[(2R)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3.2
0
3
38.83
1
(3R,4aS,6aS,10aR,10bR)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3.2
0
3
38.83
1
(3R,4aS,6aS,8R,10aR,10bR)-3,4a,7,7,10a-pentamethyl-3-[(2R)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
322.50
3.5
1
3
41.99
1
(3S,3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
278.30
-0.6
2
5
83.83
1
[(3S,3aR,4S,7R,8R,9S,9aS,9bS)-4,7,9-trihydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
340.40
-1
3
7
113.29
2
9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
556.50
2.4
3
12
151.6
7
(Z)-4-[(1R,2R,17R,19S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
560.60
5.4
2
8
119.36
5
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
1065.20
-3
13
24
372.36
11
(3S,4R,5S)-4-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one
624.90
10.4
3
7
105.45
25
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
454.50
5
4
7
116.45
7
Ginseng Tetrapeptide
459.50
-4.9
8
9
252.32
15
Luteolin 3'-o-glucuronide
462.40
0.8
7
12
207.35
4
3-[[3,4-dihydroxy-5-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]methyl]-4-methyl-6-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
466.70
9.2
4
4
80.92
4
2,4,6-Trimethylbenzaldehyde
148.20
2.5
0
1
17.07
1
N-[(3R,4R,10R,13S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
466.70
6.4
2
3
52.57
4
(2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(5-hydroxy-2-isopropenyl-5-methyl-hexyl)-5-methoxy-chroman-4-one
472.50
3.7
5
8
136.68
8
Griseoviridin
477.50
1.3
4
9
176.29
0
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