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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
(4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
208.30
1.6
1
2
37.3
2
Corchoionol C 9-glucoside
386.40
-1
5
8
136.68
5
Diospyric acid B
502.70
5.2
4
6
115.06
2
(3R,3aR,5aS,5bR,7aS,11aS,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene
410.70
10.5
0
0
0
1
Neohop-12-ene
410.70
10.5
0
0
0
1
3a,5a,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysene
410.70
10.5
0
0
0
1
3a,5a,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene
408.70
9.9
0
0
0
1
(3R,3aR,5aS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene
408.70
9.9
0
0
0
1
(4aS,6aS,6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicene
410.70
10.4
0
0
0
0
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicene
410.70
10.4
0
0
0
0
4,4a,6a,6b,8a,11,11,14a-Octamethyl-1,2,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicene
410.70
10.7
0
0
0
0
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13-tetradecahydropicene
410.70
10.7
0
0
0
0
1,7-Dihydroxy-10-methyl-9(10H)-acridinone
241.24
3
2
4
62.46
0
Cyclocalamin
502.60
2
1
9
124.8
4
Deacetylnomilinic acid
490.50
1.2
3
9
146.8
5
Isolimonin
472.50
2
1
8
115.57
1
[4a-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
390.40
-1.7
5
10
155.14
5
3-Methylpyridine 1-oxide
109.13
0.2
0
1
26.94
0
(1R,2S,3S,5S,8R,11R,12R)-5-(furan-3-yl)-3,11-dimethyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
520.50
0.6
4
11
165.12
4
(1S,4S,5R,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
302.50
5.4
1
2
37.3
1
Methyl copalate
318.50
6.6
0
2
26.3
5
3-Oxoanticopalic Acid
318.40
4.4
1
3
54.37
4
3-Acetoxy-8(17),13E-labdadien-15-oic acid
362.50
5.3
1
4
63.6
6
(3aR,8aR,9aR)-5-(hydroxymethyl)-8a-methyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
248.32
1.8
1
3
46.53
1
Budlein B
264.32
0.6
2
4
66.76
1
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