3-[(Z)-benzylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C15H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-benzylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C15H17N3O2 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H17N3O2/c19-13-15(9-5-2-6-10-15)17-14(20)18(13)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,17,20) |
| InChIK | NLYDUCPYGKYTHA-UHFFFAOYSA-N |
| TotalMolweight | 271.319 |
| Molweight | 271.319 |
| MonoisotopicMass | 271.132077 |
| CLogP | 2.1508 |
| CLogS | -3.736 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 207.49 |
| Relative PSA | 0.25351 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 1.5523 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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