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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
(3E,5R)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-methoxyoxolan-2-one
332.50
5.5
0
3
35.53
3
(3aR,5aS,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
248.32
2
1
3
46.53
0
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
476.40
1.4
5
11
168.28
6
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
432.40
0.2
7
10
181.05
3
(2R)-N-[(2S)-1-[(1R,9R,10S,11R,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
630.70
4.2
3
8
126.79
9
[(2R,3R,4S,4aS,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate
480.40
0.2
7
13
212.67
5
(2R,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
478.40
0.6
8
13
227.58
4
(2R)-2-(2,6-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
274.27
2.4
4
5
90.15
1
methyl (1R,12S,19R)-12-[(1S)-1-acetyloxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
424.50
2.8
1
7
77.1
6
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aS,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
494.60
2.3
4
9
142.75
7
2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
464.40
0.5
8
12
210.51
3
methyl (1S,4R,5R,7S,9R,11S,13R,16R,17R)-7-(furan-3-yl)-4-methyl-8,10,12-trioxapentacyclo[11.3.1.01,11.05,9.05,16]heptadecane-17-carboxylate
374.40
2.8
0
6
67.13
3
(1S,2R,4aS,8aR)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
308.50
4.9
2
2
40.46
4
Pyrrole-2-carboxylic acid
111.10
0.8
2
2
53.09
1
1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
410.50
0.7
5
8
136.68
5
(3S,8R,9R,10R,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.6
1
1
20.23
5
(4aR,5aR,6R,8aS,13aS,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
350.40
1.4
0
3
52.6
0
(1S,2R,9R,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
264.36
1
0
2
43.37
0
(1S,2R,9R,13R,17R)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
264.36
1
0
2
43.37
0
1-(1-Hydroxy-6,8-dimethoxy-3-methylnaphthalen-2-yl)ethan-1-one
260.28
3.4
1
4
55.76
3
(-)-Acorenone
220.35
4.3
0
1
17.07
1
Dibutyl trisulfide
210.40
3.9
0
3
75.9
8
Heptulose-2-Phosphate
274.16
-3.5
6
9
166.72
3
3-[(1S,2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]-1-oxidopyridin-1-ium
194.23
-0.3
0
2
50
1
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
951.00
-2.3
13
22
353.9
12
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