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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-[(2R,4aR,5R,8aS)-5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
250.33
2.6
2
3
57.53
2
bis[(E)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] propanedioate
649.00
12.7
0
4
52.6
14
(3aR,4aS,5S,8aR,9aR)-4a-hydroxy-8a-methyl-3-methylidenespiro[4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
264.32
1.3
1
4
59.06
0
(3S,3aS,4aS,8aR,9aR)-3a-hydroperoxy-3,8a-dimethyl-5-methylidene-3,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
266.33
2.5
1
4
55.76
1
methyl (2S,4aS,6aR,6aS,6bR,8aR,9S,10S,12aS,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
500.70
6.1
2
5
83.83
3
Tetratriacontanyl nonadecanoate
775.40
26.6
0
2
26.3
51
(1R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
470.70
5.6
3
4
77.76
1
(3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl) acetate
348.50
5
0
3
35.53
3
oryzalide A
320.40
3.2
1
4
59.06
0
1-methoxy-9-(1-methoxy-9H-carbazol-3-yl)-3-methylcarbazole
406.50
6.8
1
2
39.18
3
11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole
472.60
7.7
1
2
39.18
3
Ochropposinine
358.50
3.1
2
4
57.72
5
Cannabistilbene I
312.40
5.3
2
3
49.69
6
Eustifoline C
333.50
7.2
2
1
36.02
5
9-methyl-6H-furo[2,3-c]carbazole
221.25
4.2
1
1
28.93
0
ent-6,16-Kauradien-19-oic acid
300.40
4.9
1
2
37.3
1
ent-6alpha,7alpha-Dihydroxykaur-16-en-19-oic acid
334.40
2.9
3
4
77.76
1
2-Formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
332.40
2.2
2
4
74.6
2
(2S,4aS,6aR,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylic acid
344.40
3.7
1
5
76.74
2
[21,22-Diacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate
887.90
3.2
2
18
246.68
13
[18,21,22,24-Tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate
867.80
2.1
1
19
252.75
14
4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
390.34
-3.2
7
11
186.37
5
6-[2-(1,2,6-Trimethyl-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione
324.40
4.1
0
3
51.21
3
24-Methylenecycloartanone
438.70
10
0
1
17.07
5
Dihydrogalangal acetate
236.26
2.3
0
4
52.6
6
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