(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C22H22N3O2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C22H22N3O2Cl |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N2CCCCC2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C22H22ClN3O2/c23-18-8-4-17(5-9-18)15-26-21(27)20(24-22(26)28)14-16-6-10-19(11-7-16)25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,24,28) |
| InChIK | NJEGXJORFHFSRL-UHFFFAOYSA-N |
| TotalMolweight | 395.889 |
| Molweight | 395.889 |
| MonoisotopicMass | 395.140054 |
| CLogP | 3.9783 |
| CLogS | -5.425 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.27 |
| Relative PSA | 0.15067 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 3.4381 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
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