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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,2R,6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-acetyloxy-6-(furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-18-yl] 2-methylpropanoate
632.70
2.5
2
12
168.03
9
(1R,4R,5R,8R,10S,11R,13R,14R,16R,17S,18S,19S,20R,21S)-10,11,16-trihydroxy-4,5,9,9,13,19,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.116,19.01,18.04,17.05,14.08,13]pentacosan-23-one
502.70
4.6
3
6
96.22
0
(1R,4R,5R,8R,10S,11R,13R,14R,16R,17S,18S,19S,21S)-10,11,16-trihydroxy-4,5,9,9,13,20,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.116,19.01,18.04,17.05,14.08,13]pentacosan-23-one
502.70
4.8
3
6
96.22
0
(1R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
470.70
5.6
3
4
77.76
1
[(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-formyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] acetate
360.50
3.4
1
4
63.6
4
(1R,2R,4aS,4bR,6S,7S,10aS)-2-acetyloxy-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
376.50
3.4
2
5
83.83
4
[(2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-6-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] acetate
346.50
4.7
1
3
46.53
3
(1S,4S,9S,10S,12S,13R,14S)-13,14-dihydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
318.40
2.4
2
3
57.53
0
(1S,4S,9S,10S,12R,15R)-15-hydroxy-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
302.50
3.5
1
2
37.3
0
Eurifoloid Q
336.50
2.4
3
4
77.76
2
(5R)-3-methoxy-2-methyl-5-octyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
305.50
6
1
3
42.09
8
(5S,8R)-3,8-dimethoxy-2-methyl-5-octyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
335.50
5.3
1
4
51.32
9
3,8-dimethoxy-2-methyl-5-octyl-1H-quinolin-4-one
331.40
6.1
1
4
51.32
9
(5R)-2-(hydroxymethyl)-1,3-dimethoxy-5-octyl-5,6,7,8-tetrahydroquinolin-4-one
351.50
5
1
5
60.69
10
(5S)-1,3-dimethoxy-2-methyl-5-octyl-5,6,7,8-tetrahydroquinolin-4-one
335.50
6.2
0
4
40.46
9
(5R)-3,4-dimethoxy-2-methyl-1-oxido-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-1-ium
369.50
5.3
0
3
45.4
8
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-26-acetyloxy-7,25-dihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] hexanoate
1209.40
5.6
7
25
339.11
22
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-26-acetyloxy-7,25-dihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] octanoate
1237.50
6.6
7
25
339.11
24
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] octanoate
1195.40
6.1
8
24
333.04
22
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexanoyloxy-2-methyl-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] octanoate
1209.50
6.6
8
24
333.04
24
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-octanoyloxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] octanoate
1237.50
7.7
8
24
333.04
26
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-octanoyloxyoxan-2-yl]oxy-6-methyl-2-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] decanoate
1265.60
8.8
8
24
333.04
28
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-octanoyloxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] octanoate
1253.50
7.2
9
25
353.27
27
(3S)-3-hydroxy-11-(4-hydroxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyridazino[1,2-a]indazol-10-ium-1-one
313.40
1.9
2
3
66.34
1
1-Hydroxy-11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
295.40
4
2
2
49.27
1
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