(5Z)-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C15H17N3O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C15H17N3O2 |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N2CCCCC2)NC1=O |
| InChI | InChI=1S/C15H17N3O2/c19-14-13(16-15(20)17-14)10-11-4-6-12(7-5-11)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,16,17,19,20) |
| InChIK | SMADEFCDVZIWCN-UHFFFAOYSA-N |
| TotalMolweight | 271.319 |
| Molweight | 271.319 |
| MonoisotopicMass | 271.132077 |
| CLogP | 1.7013 |
| CLogS | -3.728 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 208.49 |
| Relative PSA | 0.25205 |
| PolarSurfaceArea | 61.44 |
| Druglikeness | 3.2349 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65 |
| 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 | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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