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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
5,7,3',4'-Tetrahydroxy-3-methoxy-flavonol
334.28
1.3
5
8
136.68
2
2-Methyl-1-pentene
84.16
3
0
0
0
2
Xanthohumol I
370.40
3
3
6
96.22
5
1,7-Dihydroxy-5-methoxycarbonyl-3-methylxanthone
300.26
3
2
6
96.97
2
9,10-Dihydro-2,3,5,6-tetramethoxyphenanthrene-1,4-dione
330.30
2.3
0
6
71.06
4
1-(2,7-Dihydroxy-3-methoxyphenanthren-1-yl)phenanthrene-2,3,7-triol
464.50
6.7
5
6
110.38
2
3-Methoxyphenanthrene-2,7-diol
240.25
3.7
2
3
49.69
1
4-(2,3-Dihydroxyphenyl)-2-methyl-4-oxobutanoic acid
224.21
1.4
3
5
94.83
4
3-Ethyl-5,7-dimethoxychromen-4-one
234.25
2.3
0
4
48.67
3
(1S,2R,4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid
442.70
6.9
2
3
57.53
1
1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-methylbutan-1-one
518.50
-1.1
8
13
215.83
8
gamma-Eudesmol acetate
280.40
2.5
1
3
46.53
3
[(2R,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl] acetate
280.40
3.1
1
3
46.53
3
(5r)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4,5-dihydroxy-3-methoxyphenyl)-3-heptanone
390.40
2.3
4
7
116.45
10
5-Ethoxyl-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
356.50
4
1
4
55.76
11
17-(Acetyloxy)-kauran-18-al
360.50
5.8
0
3
43.37
5
7,9,10-Nonacosanetriol
456.80
11.5
3
3
60.69
26
7,8,10-Nonacosanetriol
456.80
11.5
3
3
60.69
26
1-(4-Hydroxy-3-methoxyphenyl)-5-methoxydec-1-en-3-one
306.40
3.8
1
4
55.76
10
5-[4-hydroxy-6-(4-hydroxyphenethyl)tetrahydro-2H-pyran-2-yl]-3-methoxybenzene-1,2-diol
360.40
2.8
4
6
99.38
5
(3R,5S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl acetate
338.40
4.2
2
5
75.99
12
3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-hexan-5-one
238.28
0.5
2
4
66.76
6
trans-3-(2,4,5-Trimethoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohexene
410.50
5.6
0
5
46.15
8
cis-1,2-Bis[(e)-3,4-dimethoxy-styryl]cyclobutane
380.50
5.8
0
4
36.92
8
(-)-6-Geranylpinocembrin
406.50
6.3
2
5
83.83
6
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