3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C13H15N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C13H15N3O2S |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c1cscc1 |
| InChI | InChI=1S/C13H15N3O2S/c17-11-13(5-2-1-3-6-13)15-12(18)16(11)14-8-10-4-7-19-9-10/h4,7-9H,1-3,5-6H2,(H,15,18) |
| InChIK | UHQQFFUSLCXSTC-UHFFFAOYSA-N |
| TotalMolweight | 277.347 |
| Molweight | 277.347 |
| MonoisotopicMass | 277.088497 |
| CLogP | 1.9352 |
| CLogS | -3.636 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.43 |
| Relative PSA | 0.35865 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 1.9238 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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