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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-[(2R,3R)-7-hydroxy-5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
680.70
7.7
7
9
160.07
6
Cauloside F
1237.40
-2.5
16
27
433.05
15
(1R,2R,5E,9Z)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
306.50
4.1
1
2
29.46
1
Euphorbia factor L9
643.70
5.4
0
10
135.16
10
Qianhucoumarin G
262.26
1.6
2
5
79.9
1
Curculigoside C
482.40
0.3
6
12
184.6
9
6(1H)-Azulenone, 2,3-dihydro-1,4-dimethyl
174.24
1.8
0
1
17.07
0
Flavanthrin
482.50
5.9
4
6
99.38
3
[(4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-4-(chloromethyl)-4-hydroxy-8-[(2R)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (E)-2-methylbut-2-enoate
585.10
2.5
2
10
145.66
12
[(1S)-2-[(1S,2R,4S,4aR,5R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate
534.60
3.6
0
9
117.73
12
Eurycomalin A
406.40
5.2
2
6
93.06
5
Officinaruminane B
400.60
7.5
0
1
17.07
10
Salvianan
321.40
6
0
3
35.26
0
(R,S)-sophoraflavanone C
424.50
5.8
4
6
107.22
6
18-Beta-hydroxy-3-epi-alpha-yohimbine
370.40
2
3
5
85.79
2
Rosamultic acid
486.70
4
4
5
97.99
3
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
927.10
2.8
10
18
291.82
9
(-)-Toddanol
290.31
2.7
1
5
68.9
5
Methyl 5-O-feruloylquinate
382.40
0.2
4
9
142.75
7
Shegansu B
514.50
5.3
5
8
128.84
6
Gnetin D
470.50
5
6
7
130.61
4
(3S,10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
426.70
9.2
1
1
20.23
4
CID 102004745
492.60
7.7
4
6
107.22
8
Ampelopsin F
454.50
4.6
6
6
121.38
2
(1S,4S,8R,9R,12S,13R,14S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
362.40
1.5
2
6
93.06
0
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