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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
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
788.70
-3.2
14
22
368.81
9
Isoamericanoic acid A
344.30
1.8
4
7
116.45
4
Demethoxyisogemichalcone C
502.50
5.8
5
8
144.52
10
(3R,3aR,7S,8aS)-3,7-dimethyl-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
250.33
2
0
3
43.37
3
(1R,2R,3S,4R,5R,7S,10S,13S)-3,4-dihydroxy-7-methyl-17-oxa-14-azapentacyclo[12.2.1.02,10.02,13.05,10]heptadecan-9-one
293.36
0.2
2
5
70
0
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-hydroxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methoxy]propanoic acid
540.50
1.4
5
12
189.28
8
2-(5-Hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)acetic acid
347.30
2.2
2
5
96.6
3
8-Hydroxy-4,7-dimethoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
336.30
3.8
1
5
64.99
3
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methoxy]propanoic acid
554.50
1.8
4
12
178.28
9
(12S)-12-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecanoic acid
1021.10
-1.8
14
25
392.59
25
(12S)-12-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoic acid
1035.10
-1.3
14
25
392.59
26
(12S)-12-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecanoic acid
1049.20
-0.7
14
25
392.59
27
(E,3R)-1,7-diphenylhept-6-en-3-ol
266.40
4.9
1
1
20.23
7
(1S,2R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,14-diol
303.35
0.9
2
5
62.16
1
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxyhexyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
372.40
0.5
6
8
139.84
9
[(1R,2S,3R,4S,4aS,8aR)-1-acetyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] pyridine-3-carboxylate
495.60
3.1
1
8
112.02
7
[(1R,2S,3R,4S,4aS,8aR)-1,3-dihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] pyridine-3-carboxylate
453.50
2.5
2
7
105.95
5
12-Methoxy-6-methyl-3-(2-methylprop-2-enyl)-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-4-ol
326.40
5.3
1
3
38.69
4
24-Methylcholesta-5,22-dien-3beta-ol
398.70
8
1
1
20.23
4
(1S,2S,5S,7R,8S,9S,10S,11R,12R)-7,9,10-trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-14-en-3-one
362.40
-1.1
4
6
107.22
1
(1R,2S,3S,5S,7R,8S,9S,10S,11R,12R)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10-tetrol
366.40
-0.6
5
6
110.38
1
Pyrophosphoric acid
177.98
-3.2
4
7
143.91
2
(2I+/-,3I(2),5I+/-,25S)-2,27-Dihydroxyspirostan-3-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside
756.90
1.6
8
14
217.22
6
I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-
903.10
0
10
18
276.14
8
I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-27-(I(2)-D-glucopyranosyloxy)-2-hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-
1065.20
-1.6
13
23
355.29
11
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