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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
1,3,8-Trihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one
314.25
3.2
3
7
113.27
1
3,8-Dihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one
298.25
3
2
6
93.04
1
D-Altritol
182.17
-3.1
6
6
121.38
5
1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid
215.25
1.2
2
4
75.63
4
6-Deoxyglucitol
166.17
-2
5
5
101.15
4
8,4'-Dihydroxyisoflavone
254.24
2.5
2
4
70.67
1
1-O-caffeoyl-(6-O-galloyl)-beta-d-glucopyranose
494.40
0
8
13
223.67
8
galloyl(-6)Glc(b)-O-coumaroyl
478.40
0.3
7
12
203.44
8
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
538.50
0.3
7
14
221.9
10
[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
484.40
-1.4
7
12
195.6
7
[(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
552.50
-0.3
7
13
204.83
11
(3aS,6R,6aR,8S,9aR,9bS)-6,8-dihydroxy-6-methyl-3,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
264.32
0.7
2
4
66.76
0
(3S,3aS,6R,6aR,8S,9aR,9bS)-6,8-dihydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
266.33
0.8
2
4
66.76
0
[(3R,3aR,6aR,9S,9aR,9bR)-3-(hydroxymethyl)-9-methyl-6-methylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] acetate
322.40
1.1
1
6
89.9
3
[(2S,5S,6R,7S,9S)-9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]trideca-1(13),10-dien-7-yl] acetate
308.33
1.1
1
6
85.97
2
[(3aS,4S,5S,6S,10R,11S,11aR)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
454.50
2.2
2
9
136.43
6
(Z)-2-[2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
338.50
2.7
4
4
80.92
6
[(1R,3S,5S,6S,7R,8R,9S,10R,13R)-8-acetyloxy-3-(furan-3-yl)-5,6,9-trimethyl-11-oxospiro[2-oxatricyclo[7.3.1.05,13]tridecane-10,2'-oxirane]-7-yl] acetate
446.50
1.9
0
8
104.57
5
Lup-20(29)-ene-2alpha,3beta-diol
442.70
8.9
2
2
40.46
1
(3beta)-3-(Sulfooxy)olean-12-en-28-oic Acid
536.80
7.1
2
6
109.28
3
1,4,5-Trihydroxy-3-prenylxanthone
312.30
4.4
3
5
90.9
2
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one
310.30
3.7
2
5
79.9
0
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one
380.40
6.2
3
5
90.9
5
11-Methoxy-2,2,12-trimethyl-5,6-dihydronaphtho[2,1-f]chromene-8,9-diol
338.40
4.4
2
4
58.92
1
11-Methoxy-2,2,12-trimethylnaphtho[2,1-f]chromene-8,9-diol
336.40
5
2
4
58.92
1
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