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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
(5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one
382.80
0.1
4
7
120.36
4
[(2R,3S,4S,5R,6R)-6-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
450.40
-0.5
6
10
166.14
9
[4-Hydroxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
328.40
5.1
3
5
86.99
5
4-Hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
358.40
5.1
3
6
96.22
6
(3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid
280.32
0.9
3
5
94.83
1
(3aS,3bR,5S,6aS,7aR)-2-hydroxy-3,3a,5-trimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carboxylic acid
264.32
1.7
2
4
74.6
1
methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate
294.34
1.3
2
5
83.83
2
[(1R,2R,3S,4S)-2-(2,4-dihydroxybenzoyl)-3,4-diphenylcyclobutyl]-(2,4-dihydroxyphenyl)methanone
480.50
5.9
4
6
115.06
6
[(2R,3S,4R,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
640.60
-1.6
10
16
265.52
11
[(2R,3S,4R,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
640.60
-1.6
10
16
265.52
11
(2E,4E)-8-(beta-D-Glucopyranosyloxy)-2,7-dimethyldeca-2,4-dienedioic acid
404.40
-0.4
6
10
173.98
10
Cadina-1(10),4-diene
204.35
3.8
0
0
0
1
[(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,46-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-37-yl] 3,4,5-trihydroxybenzoate
1086.70
1.6
18
30
521.94
3
methyl (E)-2-[(2S,3R,7aR,12bR)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
414.50
2.3
1
7
80.59
6
methyl (E)-2-[(3S,6'S,7'S,8'aR)-6'-ethenyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
398.50
1.7
2
6
88.1
5
methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
400.50
2
2
6
88.1
5
3-[[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
536.60
3.9
3
9
123.91
9
(3R,4S,6S,9Z)-4-bromo-9-(chloromethylidene)-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undecan-10-one
347.67
3.4
1
2
37.3
0
(3R,4S,6S,9R,10S)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-3,9-diol
351.70
3.3
2
2
40.46
0
(3S,6R)-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
254.79
3.7
1
1
20.23
0
1,3,7-Trihydroxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methylbutyl)-xanthone
398.40
4.9
4
6
111.13
5
(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
973.10
0.6
12
20
332.28
11
N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
405.60
7.9
1
3
47.56
18
(1S,16S,19R,21S)-8,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene
331.40
5.8
1
1
25.02
0
(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-[(1R)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid
522.50
3.1
6
11
191.05
9
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