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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,5S,6S,8R,9S,10S,11R,13R,14R,15S,18R,19R,20S)-19,20-diacetyloxy-6-(furan-3-yl)-8,18-dihydroxy-5,10,14-trimethyl-3-oxo-16,21-dioxahexacyclo[12.3.3.19,11.01,13.02,10.05,9]henicosan-15-yl] 2-methylbutanoate
658.70
2.2
2
12
168.03
9
[(1S,2R,4R,5R,6S,8R,9R,10S,11R,13R,14R,15S,18R,19R,20S)-4,19,20-triacetyloxy-6-(furan-3-yl)-8,18-dihydroxy-5,10,14-trimethyl-3-oxo-16,21-dioxahexacyclo[12.3.3.19,11.01,13.02,10.05,9]henicosan-15-yl] 2-methylbutanoate
716.80
2.2
2
14
194.33
11
4-[(2S,3aS,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
350.40
2.3
2
5
75.99
2
4-[(2R,3aS,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
350.40
2.3
2
5
75.99
2
4-[(2R,3aR,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
350.40
2.3
2
5
75.99
2
4-[(2S,3aR,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
350.40
2.3
2
5
75.99
2
2-Hentriacontyl-5,7-dihydroxy-8-methylchromen-4-one
627.00
18.1
2
4
70.67
30
(1R,2R,3S,4S)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohexane-1,2-diol
230.34
1.8
3
3
60.69
3
(2R,3R,4S,5S,6R)-2-[(1R,2R,3R,6R)-3,6-dihydroxy-3-[(E,3R)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
406.50
-1.3
7
9
160.07
5
3,5-Decanediol, 1-(3,4-dimethoxyphenyl)-, 3,5-diacetate, (3R,5S)-
394.50
5.1
0
6
71.06
15
16-Hydroxyroquefortine C
405.40
2.2
4
5
110.35
3
Pestalotether C
396.80
4.5
2
8
111.52
7
Pestalochromone A
276.71
-0.8
2
5
75.99
1
Pestalochromone B
276.71
-0.8
2
5
75.99
1
(2S,3R,4S,5S,6R)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
478.40
-3.3
7
13
196.99
8
4-[(3S,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
344.40
2
3
6
88.38
3
3,4,8,9,10,11-hexamethoxy-5H-isochromeno[4,3-b]chromen-7-one
430.40
2.8
0
9
94.82
6
3,8,9,10,11-pentamethoxy-5H-isochromeno[4,3-b]chromen-7-one
400.40
2.8
0
8
85.59
5
2-(2,5-Dimethoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
402.40
3.2
0
8
85.59
7
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
957.10
-0.4
12
19
315.21
10
(5R,8R,9S,10R,13S,14R,17R)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
460.70
6.9
2
3
57.53
5
(10-Acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2-methylbutanoate
388.40
3.4
0
7
92.04
6
[(E)-4-(7-hydroxy-2-oxochromen-6-yl)-2-methylbut-2-enyl] acetate
288.29
2.8
1
5
76.74
5
(1S,3R,4aR,10aR,11aR,11bS)-1,3-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
332.40
2.3
2
4
66.76
0
4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-2-methyl-
206.19
2.1
1
4
59.67
1
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