(5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C20H19N3O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C20H19N3O2 |
| Smiles | O=C(/C(/NC1=O)=C/c(cc2)ccc2N2CCCC2)N1c1ccccc1 |
| InChI | InChI=1S/C20H19N3O2/c24-19-18(21-20(25)23(19)17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2,(H,21,25) |
| InChIK | PHFMDOMNZUSADB-UHFFFAOYSA-N |
| TotalMolweight | 333.39 |
| Molweight | 333.39 |
| MonoisotopicMass | 333.147727 |
| CLogP | 3.1074 |
| CLogS | -4.941 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.33 |
| Relative PSA | 0.17621 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 4.7401 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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