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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
(4S)-10-hydroxy-9-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2,4'-cyclohexa-2,5-diene]-1'-one
283.32
1.7
2
4
58.56
1
1-(4-Hydroxy-3-methoxyphenyl)-3-oxododecane-5-sulfonic acid
386.50
3.8
2
6
109.28
13
1-(4-Hydroxy-3-methoxyphenyl)-3-oxotetradecane-5-sulfonic acid
414.60
4.8
2
6
109.28
15
Kaempferol 3-triglucoside
772.70
-3.6
13
21
348.58
10
4-Hydroxybenzyl vanillyl ether
260.28
1.7
2
4
58.92
5
1-(Methoxymethyl)-4-[4-[[4-(methoxymethyl)phenoxy]methyl]phenoxy]benzene
364.40
4.2
0
4
36.92
9
[(1R,2S,3R,5S,6R,8R,9S,10S,11S,12S,14R)-8,10,14-trihydroxy-13,13-dimethyl-7-methylidene-4,18-dioxahexacyclo[8.6.2.16,9.01,12.02,9.03,5]nonadecan-11-yl] acetate
406.50
0
3
7
108.75
2
[(1S,2S,4S,5R,6S,9S)-2-hydroxy-4-methyl-8-oxo-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-5-yl] acetate
321.40
1.3
1
5
66.84
2
(1S,2S,4S,5S,6S,9S)-2,5-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
279.37
0.7
2
4
60.77
0
(1S,2S,4S,5R,6S,9S)-2,5-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
279.37
0.7
2
4
60.77
0
[(1S,4S,5S,6S,9S)-6-methyl-2,8-dioxo-13-azatetracyclo[11.3.1.01,9.04,9]heptadecan-5-yl] acetate
333.40
0.9
0
5
63.68
2
[(1S,2S,4S,5S,6S,9S)-2-hydroxy-4-methyl-8-oxo-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-5-yl] acetate
321.40
1.3
1
5
66.84
2
(1R,3S,4S,5'S,8S,9R,10R,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-3-methoxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-9,3'-oxolane]-2'-one
376.40
2.4
1
6
78.13
3
(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
767.00
2
7
13
204.83
6
(3Z,3aR,8R,8bS)-8-(hydroxymethyl)-8-methyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
346.40
1.3
1
6
82.06
3
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol
552.90
14.3
1
1
20.23
17
[(1S,2S,4R,5R,6R,9R,10S,11R,13R,14R,18S,20R)-4-acetyloxy-6-(furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate
574.60
0.5
3
11
169.8
5
(2S)-5-hydroxy-6-[(2-hydroxy-5-methoxyphenyl)methyl]-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
406.40
4.6
2
6
85.22
5
(2S)-5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
406.40
4.6
2
6
85.22
5
(1S,8R)-3,7,11,11-tetramethyl-12-oxatricyclo[6.3.1.01,6]dodeca-2,6-diene
218.33
2.4
0
1
9.23
0
Oleagenin
372.50
3.2
1
4
63.6
1
(4aR,6aR,6bS,8aR,12aS,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,7,8,8a,11,12,14b-decahydropicene-4a-carboxylic acid
466.70
5.2
1
4
71.44
1
(1S,2R,5R,7R,10S,11R,18S,19S,22S)-7,18-dihydroxy-1,2,6,6,10,17,17-heptamethyl-20-oxahexacyclo[12.10.0.02,11.05,10.015,22.019,22]tetracosa-12,14-dien-21-one
468.70
5.6
2
4
66.76
0
(1S,2R,4R,7R,11S)-7-hydroperoxy-4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
280.32
1.3
1
5
68.29
1
[2-(7-Hydroxy-2,2-dimethylchromen-6-yl)-2-oxoethyl] 2-methylpropanoate
304.34
3.7
1
5
72.83
5
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