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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
p-Menth-2-en-8-ol
154.25
2.3
1
1
20.23
1
6,7-Dihydroneridienone A
328.40
2.5
1
3
54.37
1
8-Epiiridotrial glucoside
344.36
-0.4
4
8
125.68
4
Atractylenolide III
248.32
2.1
1
3
46.53
0
Cyclododecanol
184.32
3.8
1
1
20.23
0
2-Hydroxy-4-methoxy-6-propylbenzoic acid
210.23
3
2
4
66.76
4
Transilin
478.40
0.7
7
12
199.51
5
Oxacyclotetradecan-2-one
212.33
4.7
0
2
26.3
0
2-[3-(2,4-Dihydroxyphenyl)-2-hydroxy-5-methylphenyl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
456.40
5.5
6
7
134.52
3
(1S)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
271.27
-1.2
4
7
123.17
3
(1S-trans)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile
287.27
-2.3
5
8
143.4
3
4'-O-methylalpinumisoflavone
350.40
4.3
1
5
68.9
2
4'-O-Methylderrone
350.40
4.3
1
5
68.9
2
5alpha-Poriferast-9(11)-en-3beta-ol
414.70
9.2
1
1
20.23
6
5alpha-Stigmast-9(11)-en-3beta-ol
414.70
9.2
1
1
20.23
6
(E,E)-Futoamide
301.40
4.4
1
3
47.56
7
Quercetin-3-O-glucosyl-6''-acetate
506.40
0.4
7
13
216.58
6
Heraclesol
334.30
1.6
2
7
102.27
5
Flavosorbin
608.50
-0.3
8
15
238.2
7
5,7-Dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
594.50
-1.6
10
15
260.2
6
24-Ethylcholest-4-en-3-one
412.70
9.3
0
1
17.07
6
moracin I
324.40
5.2
2
4
62.83
4
3-Furanmethanol, 2-(3,4-dimethoxyphenyl)tetrahydro-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (2S,3R,4R)-
374.40
2.7
2
6
77.38
7
Phlomisionoside
388.50
-1.1
6
8
139.84
5
2-Allyl-3,5-dichloro-1,4-dihydroxycyclopent-2-enoic acid methyl ester
267.10
0.6
2
4
66.76
3
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