Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 21st, 2010 |
23 |
No
|
Popular Name:
8-[2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxo-ethyl]-6,8-diazaspir
8-[2-[(4aR,7aR)-3,4a,5,6,7,7a-he…
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SMILES
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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)
|
0.72 |
3.89 |
-13.58 |
1 |
7 |
0 |
79 |
321.377 |
2 |
↓
|
Rings
-
Cyclopentane
-
Morpholine
-
Hydantoin
-
2,3,4,4a,5,6,7,7a-octahydrocyclo…
![2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine](//zinc12.docking.org/img/rings/1410.gif)
-
2,4-diazaspiro[4.4]nonane-1,3-qu…
![2,4-diazaspiro[4.4]nonane-1,3-quinone](//zinc12.docking.org/img/rings/4865.gif)
-
3-[2-(3,4a,5,6,7,7a-hexahydro-2H…
![3-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-keto-ethyl]-1,3-diazaspiro[4.4]nonane-2,4-quinone](//zinc12.docking.org/img/rings/54745.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine](http://zinc12.docking.org/img/rings/1410.gif)
![2,4-diazaspiro[4.4]nonane-1,3-quinone](http://zinc12.docking.org/img/rings/4865.gif)
![3-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-keto-ethyl]-1,3-diazaspiro[4.4]nonane-2,4-quinone](http://zinc12.docking.org/img/rings/54745.gif)