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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
[(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
318.32
-0.1
1
6
89.9
3
(4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylic acid
314.40
5.4
1
3
50.44
4
(3S,4aR,6aR,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,10,10,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,9,11,12,13,14,14a-tetradecahydropicen-3-ol
426.70
9.1
1
1
20.23
0
Hexadecanoic acid, 2-(2,3-dihydro-2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-1H-inden-5-yl)ethyl ester, (-)-
486.70
10.1
1
4
63.6
19
(Oxiran-2-yl)methyl decanoate
228.33
3.9
0
3
38.83
11
9-methoxy-11aH-[1]benzofuro[3,2-c]chromen-3-ol
268.26
2.4
1
4
47.92
1
12,13-Dihydroxy-11-methyl-6-methylidene-4,16-dioxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
362.40
-0.8
3
7
121.13
1
16,17-Dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
362.40
1.1
3
6
104.06
1
5,12-Dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
394.40
0.1
5
8
152.36
3
Gibberellin A30
346.40
0.3
3
6
104.06
1
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
378.40
-1.8
5
8
144.52
1
12,13-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
348.40
0.7
3
6
104.06
1
5,17-Dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
362.40
0.5
3
6
104.06
1
5,11-Dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
394.40
0.3
5
8
152.36
3
5,6-Dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
394.40
0.8
5
8
152.36
3
14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
330.40
1.6
2
5
83.83
1
17-Hydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.14,7.01,10.03,9]heptadec-8-ene-2-carboxylic acid
330.40
1.1
2
5
83.83
1
1,3,8-Trihydroxy-7-methoxyxanthone
274.22
2.4
3
6
100.13
1
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
614.50
-1
5
16
234.04
15
8-Prenyldaidzein
322.40
4.4
2
4
70.67
3
Pinostrobin 5-glucoside
432.40
0.7
4
9
134.91
5
(2E,8E)-pentadeca-2,8-dien-4,6-diyne-1,10-diol
232.32
3
2
2
40.46
7
(2E,8E)-10-hydroxypentadeca-2,8-dien-4,6-diynal
230.30
3.1
1
2
37.3
7
[(2E,9E)-pentadeca-2,9-dien-4,6-diynyl] acetate
258.35
4.8
0
2
26.3
9
(2Z,9Z)-pentadeca-2,9-dien-4,6-diyn-1-ol
216.32
4.2
1
1
20.23
7
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