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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
2,6-Dihydroxy-4-[(e)-7-hydroxy-3,7-dimethyl-octa-2-enyloxy]benzophenone
384.50
5.1
3
5
86.99
9
2-Octadecanone, 18-(1,3-benzodioxol-5-yl)-
388.60
9.2
0
3
35.53
17
licoflavone B
390.50
6.3
2
4
70.67
5
Thymine
126.11
-0.6
2
2
65.72
0
Stemocurtisinol
405.50
2.3
1
7
77.46
3
Ancistrotanzanine C
407.50
5.1
2
5
62.16
3
Lupulone D
430.60
5.2
2
5
83.83
8
10-Hydroxyoleoside dimethyl ester
434.40
-2.9
5
12
181.44
9
(2R,3R)-3,5-dihydroxy-2-(7-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
440.50
4.2
3
7
105.45
1
[(E)-2-[(1S,5S,7R,8S,11R)-11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate
444.60
3.6
0
6
78.9
8
Isoesculeogenin A
447.60
4
4
5
81.95
1
(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxy-4-methoxyphenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
452.50
6.5
2
6
85.22
8
Biepiasterolide
462.60
5.1
0
4
52.6
1
(2S,3S,4S,5R,6S)-6-[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
508.40
0.6
8
14
236.81
5
5-(4,7-Dihydroxy-2,8-dimethoxyphenanthren-1-yl)-7-hydroxy-2-methoxyphenanthrene-1,4-dione
522.50
5.9
3
8
122.52
4
Latifolian B
547.50
5
11
150.51
1
(1S,9R,17S)-4-methoxy-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-5,12,13,20,21-pentol
434.50
3.2
5
6
110.38
1
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]chromen-4-one
560.50
-0.1
7
12
199.51
5
2,7-Dihydroxy-8-methoxy-3,6-diundecyldibenzofuran-1,4-dione
568.80
13
2
6
96.97
21
2,8-Dihydroxy-7-methoxy-3,9-di(undecyl)dibenzofuran-1,4-dione
568.80
13
2
6
96.97
21
Neoprotosappanin
570.50
2.6
8
10
180.3
1
[(1R,4S,5S,6R)-4-(1,3-benzodioxol-5-yl)-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
570.70
5.2
0
6
77.54
5
vitisinol B
574.60
5.4
6
8
147.68
4
Mauritine A
575.70
3.6
3
6
120.08
7
(5S)-3-[(2R)-2-Hydroxy-9-[(2R,5S)-tetrahydro-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-methyl-2(5H)-furanone
596.90
8.8
4
7
116.45
26
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