(5Z)-3-(3-chlorophenyl)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C20H17N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-chlorophenyl)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(3-chlorophenyl)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C20H17N3O2ClF |
| Smiles | O=C(/C(/NC1=O)=C/c(ccc(N2CCCC2)c2)c2F)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C20H17ClFN3O2/c21-14-4-3-5-16(11-14)25-19(26)18(23-20(25)27)10-13-6-7-15(12-17(13)22)24-8-1-2-9-24/h3-7,10-12H,1-2,8-9H2,(H,23,27) |
| InChIK | RTVHSYOXYQNVCF-UHFFFAOYSA-N |
| TotalMolweight | 385.825 |
| Molweight | 385.825 |
| MonoisotopicMass | 385.099332 |
| CLogP | 3.8142 |
| CLogS | -5.991 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.1 |
| Relative PSA | 0.16227 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 3.4431 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-(3-chlorophenyl)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-(3-chlorophenyl)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
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