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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
orthosiphol B
676.70
5.3
2
11
162.73
11
(1R,2S,3S,4R,8R,9R,11R,12R)-8-formyl-11-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
362.40
0.8
3
6
111.9
3
2-Aminofluorene
181.23
3.1
1
1
26.02
0
3-(2,4-dihydroxyphenyl)-3,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2H-chromen-4-one
424.50
5.1
4
6
107.22
5
methyl (1R,4aS,9S,10S,10aR)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-1-carboxylate
416.50
2.9
2
7
110.13
5
3,4-Dihydro-8-hydroxy-6-methoxy-(3R)-propylisocoumarin
236.26
3.3
1
4
55.76
3
2'-O-Methylphaseollinisoflavan
338.40
4.2
1
4
47.92
2
Kadsulactone A
482.60
6.5
1
5
72.83
2
Ethyl vinyl ketone
84.12
1
0
1
17.07
2
Buddlejasaponin IV
943.10
0.9
11
18
287.14
9
1-Hexen-3-one
98.14
1.4
0
1
17.07
3
(3S,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
454.70
7.8
2
2
40.46
5
3-(3,4-Dimethoxyphenyl)prop-2-enyl 2-(2-methylbut-2-enoyloxymethyl)but-2-enoate
374.40
3.9
0
6
71.06
11
Propionylshikonin
344.40
4
2
6
100.9
6
Heptadeca-2,8,10-trien-4,6-diyne
226.36
6.3
0
0
0
7
Nereistoxin
149.30
0.8
0
3
53.84
1
(2R,3R)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
(2R,3R,4S)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
850.80
3.7
14
17
310.91
5
Fischeria A
288.40
5.4
0
2
26.3
1
(1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-3,10-dimethyl-6,12-bis[(1S)-1,2,2-trimethylcyclopentyl]tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
468.70
5.5
2
4
74.6
2
12-Hydroxy-6,7-secoabieta-8,11,13-trien-6,7-dial
316.40
4.8
1
3
54.37
4
Solifenacin
362.50
4
0
3
32.78
3
(3aS,6R,9aS,9bS)-6-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
246.30
1.3
1
3
46.53
0
6-Hydroxy-7-methoxychromen-4-one
192.17
1.4
1
4
59.67
1
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