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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
5,5'-Dimethoxysecoisolariciresinol
422.50
2.5
4
8
117.84
11
2-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
422.50
6.2
4
6
111.13
5
(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
423.60
7.5
1
2
38.33
17
Desoxylimonin
454.50
2.2
0
7
92.04
1
Limonol
472.50
2.1
1
8
107.73
1
(3S,6aS,12aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
428.70
10.1
1
1
20.23
0
Cimicifugic acid E
432.40
1.8
5
10
170.82
10
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-hydroxy-3-methoxyphenoxy)oxane-3,4,5-triol
434.40
-2.4
7
12
187.76
7
7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
166.22
1.6
0
2
29.6
1
Bullatine B
437.60
-0.1
3
7
91.62
5
(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,7,8,9,10,12,12a,13,14-dodecahydropicen-3-ol
440.70
7.1
2
2
40.46
1
Mallotochroman
444.50
4.2
4
8
133.52
5
Lupan-3beta,20-diol
444.70
8.4
2
2
40.46
1
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
448.70
5
4
4
80.92
6
Primulagenin A
458.70
7
3
3
60.69
1
(2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propanal
458.70
6.9
2
3
57.53
13
Celestrol methyl ester
464.60
6.3
1
4
63.6
2
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide
464.70
7.7
0
2
23.55
4
Rhinacanthin Q
474.50
5.1
1
7
99.13
8
Nicandrenone
466.60
2.5
2
6
91.82
2
(8bR,14aR)-11-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-8b,14a-dihydrophenanthro[10,9-b][1,4]benzodioxine-2,4,6,7-tetrol
484.50
4.5
6
8
139.84
2
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
404.40
-2.8
6
11
175.37
6
Hydantoin
100.08
-1.7
2
2
58.2
0
Quercetin 3-O-(6''-acetyl-glucoside)
506.40
0.4
7
13
216.58
6
Syringaresinol
418.40
2.2
2
8
95.84
6
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