Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 21st, 2010 |
36 |
No
|
Popular Name:
2-[(1R,3aS,3bR,5aR,9aR,9bR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-ind
2-[(1R,3aS,3bR,5aR,9aR,9bR,11aR)…
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
4.88 |
11.49 |
-16.13 |
2 |
6 |
0 |
78 |
488.676 |
4 |
↓
|
Rings
-
Glyoxaline
-
Cyclopentane
-
Benzene
-
Cyclohexane
-
2,3-dihydro-1H-pyridin-6-one
-
Benzimidazole
-
1,2,3,3a,3b,4,5,5a,6,9a,9b,10,11…
![1,2,3,3a,3b,4,5,5a,6,9a,9b,10,11,11a-tetradecahydroindeno[5,4-f]quinolin-7-one](//zinc12.docking.org/img/rings/342.gif)
-
N-(1H-benzimidazol-2-ylmethyl)-2…
![N-(1H-benzimidazol-2-ylmethyl)-2-(7-keto-1,2,3,3a,3b,4,5,5a,6,9a,9b,10,11,11a-tetradecahydroindeno[5,4-f]quinolin-1-yl)acetamide](//zinc12.docking.org/img/rings/16252.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,3a,3b,4,5,5a,6,9a,9b,10,11,11a-tetradecahydroindeno[5,4-f]quinolin-7-one](http://zinc12.docking.org/img/rings/342.gif)
![N-(1H-benzimidazol-2-ylmethyl)-2-(7-keto-1,2,3,3a,3b,4,5,5a,6,9a,9b,10,11,11a-tetradecahydroindeno[5,4-f]quinolin-1-yl)acetamide](http://zinc12.docking.org/img/rings/16252.gif)