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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
6-Hydroxy-2-(5-hydroxy-2-methoxyphenyl)-3,5,7-trimethoxychromen-4-one
374.30
2.6
2
8
107.59
5
2-(2,5-Dimethoxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one
388.40
2.9
1
8
96.59
6
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
358.40
4.1
1
5
57.15
5
4-[(1R,2R)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxy-phenol
344.40
3.8
2
5
68.15
7
O-Ethylcubebin
384.40
4.3
0
6
55.38
6
1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, 1-acetate, (2R,3R)-
400.40
3.5
1
7
83.45
9
2,6-Dimethyldecane
170.33
6.1
0
0
0
7
Alliospiroside D
754.90
1
8
14
217.22
5
Cepagenin
446.60
3.7
3
5
79.15
0
(24s,25r)-Spirost-5-ene-1beta,3beta,24-triol
446.60
3.7
3
5
79.15
0
2-Deoxyecdysone
448.60
2.7
4
5
97.99
5
Galloxanthin
394.60
6.9
2
2
40.46
8
Apo-10'-lycopenal
376.60
9.4
0
1
17.07
11
methyl (2E,4E,6E,8E,10E,12E,14Z,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
446.70
10.8
0
2
26.3
13
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
446.70
10.8
0
2
26.3
13
5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
462.40
0.8
6
11
179.28
5
boeravinone C
344.30
2.3
3
7
105.45
1
(6aR,12aS)-4,11,12a-trihydroxy-9-methoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
344.30
2.3
3
7
105.45
1
(6aS,12aR)-4,11,12a-trihydroxy-9-methoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
344.30
2.3
3
7
105.45
1
methyl (3S,11S)-3,11-dihydroxytetradecanoate
274.40
3.1
2
4
66.76
13
5-Hydroxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
322.40
4
1
4
55.76
1
Obovatin
322.40
4
1
4
55.76
1
2-(3,4-Dihydroxyphenyl)-7-ethoxy-3-hydroxy-4H-1-benzopyran-4-one
314.29
2.7
3
6
100.13
3
3,5-Dihydroxy-2,4-dimethoxyfluoren-9-one
272.25
2.3
2
5
75.99
2
3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
432.40
0.6
6
10
170.05
3
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