(5E)-3-(3-chlorophenyl)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
Formula:C25H17N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C25H17N3O2ClF |
| Smiles | O=C(/C(/NC1=O)=C\c2cn(Cc(cc3)ccc3F)c3c2cccc3)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C25H17ClFN3O2/c26-18-4-3-5-20(13-18)30-24(31)22(28-25(30)32)12-17-15-29(23-7-2-1-6-21(17)23)14-16-8-10-19(27)11-9-16/h1-13,15H,14H2,(H,28,32) |
| InChIK | BSLRRGUVLUSCMP-UHFFFAOYSA-N |
| TotalMolweight | 445.88 |
| Molweight | 445.88 |
| MonoisotopicMass | 445.099332 |
| CLogP | 4.8529 |
| CLogS | -6.247 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 320.58 |
| Relative PSA | 0.1496 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.5333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-(3-chlorophenyl)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
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