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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,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
302.50
6
1
2
37.3
5
phytocassane D
316.40
3.3
1
3
54.37
1
2-Hydroxy-6-methylbenzoic acid
152.15
1.9
2
3
57.53
1
(2S,4R,4aS,7aS,8R,10aS,11aR,11bS)-4-(hydroxymethyl)-4,7a,11b-trimethyl-2,3,4a,5,6,8,9,10a,11,11a-decahydro-1H-naphtho[2,1-f][1]benzofuran-2,8-diol
336.50
1.8
3
4
69.92
1
Isochrysotricine
338.40
2.8
1
3
47.28
3
(3R,3aS)-3-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
372.40
0.4
4
8
125.68
6
Isothebaine
311.40
2.6
1
4
41.93
2
2-[(2R)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
274.33
2.6
1
3
42.57
2
(2S)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
414.70
10.3
1
2
29.46
12
Aspalathin
452.40
-0.2
9
11
208.37
6
2,4-Bis-(4-hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)-ethyl]-5-methoxy-phenol
456.50
6.5
4
5
90.15
8
(1S,3S,5R,6R,8R,11S,12S,15S,16R)-15-[(3R)-3-hydroxy-6-methylhepta-1,6-dien-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol
456.70
7.6
3
3
60.69
5
caesalpinin E
462.50
3
1
8
112.27
6
3,7-Dihydroxy-2,5-diundecylnaphthoquinone
498.70
11.8
2
4
74.6
20
(1S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-8-oxo-3,4,5,6,6a,7,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
502.70
3.8
4
6
115.06
2
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
508.50
-0.1
6
12
184.6
9
Pityriarubin B
524.50
4.2
5
4
130.84
3
Eurycomaoside
530.60
-2.2
8
12
206.6
3
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
588.90
11.3
2
4
66.76
4
guttiferone H
602.80
10.3
3
6
111.9
6
Calceolarioside E
610.60
-0.6
9
15
245.29
12
[(1R,2S,5R,6R,10S,13R,14S,16S)-16-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate
626.70
3.6
1
11
155.64
9
[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-15-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate
642.70
3
1
12
168.17
9
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
646.80
5.3
4
9
142.75
6
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
780.90
2.1
4
15
202.04
13
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