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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
7-(6'R-hydroxy-3',7'-dimethylocta-2',7'-dienyloxy)coumarin
314.40
4.3
1
4
59.67
7
[(2S)-2,3-dihydroxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
238.24
0.5
3
5
86.99
6
1-(2-Hydroxy-6-methoxyphenyl)-9-(4-hydroxyphenyl)-1-nonanone
356.50
6.4
2
4
66.76
11
1-(2-Hydroxy-6-methoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone
370.50
6.7
1
4
55.76
12
1-(2,6-Dimethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one
384.50
6.5
0
4
44.76
13
Honyumine
353.40
3.8
2
6
80.92
1
Grandisinine
369.40
4.8
2
6
80.92
4
1,3-Dihydroxy-5,6-dimethoxy-10-methylacridin-9-one
301.29
2.9
2
6
80.92
2
1-hydroxy-3,5,6-trimethoxy-10H-acridin-9-one
301.29
3.1
2
6
80.78
3
Honyudisin
312.40
4.4
1
4
59.67
2
2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
416.40
2.1
2
9
116.82
5
Clemiscosin D
416.40
2.1
2
9
116.82
5
1,2,6,8-Tetramethoxy-9H-xanthen-9-one
316.30
2.8
0
6
67.13
4
Rosmanol
346.40
3.4
3
5
86.99
1
Galdosol
344.40
4
2
5
83.83
1
[(1R,8S,9S,10S)-3,4-dihydroxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl] (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
660.80
9.1
4
8
133.52
5
(4aR,10aS)-5,6-diacetyloxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
416.50
5.1
1
6
89.9
6
methyl (4aR,9R,10aS)-5,6,9-trihydroxy-1,1-dimethyl-10-oxo-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
376.40
3.3
3
6
104.06
3
methyl (4aR,9S,10aS)-5,6,9-trihydroxy-1,1-dimethyl-10-oxo-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
376.40
3.3
3
6
104.06
3
Salviol
302.50
5.2
2
2
40.46
1
[(3S,4aS,10aS)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-3-yl] acetate
386.50
5.9
0
4
52.6
5
[8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5-(5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate
568.70
2.3
2
11
150.35
10
Auropolin
462.50
1.2
1
9
124.8
8
(1R,4aS,4bR,7R,9R,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
304.50
4.3
2
2
40.46
2
methyl (1R,4aS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthrene-1-carboxylate
330.50
4.4
0
3
43.37
3
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