(4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione
Formula:C23H16NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H16NO3F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\[C@H](c1ccccc1)N(C1=O)c2ccccc2)/C1=O |
| InChI | InChI=1S/C23H16FNO3/c24-17-13-11-16(12-14-17)21(26)19-20(15-7-3-1-4-8-15)25(23(28)22(19)27)18-9-5-2-6-10-18/h1-14,20,26H/t20-/m0/s1 |
| InChIK | BBAYGBXOSDVSBC-FQEVSTJZSA-N |
| TotalMolweight | 373.382 |
| Molweight | 373.382 |
| MonoisotopicMass | 373.111422 |
| CLogP | 3.5351 |
| CLogS | -4.307 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.2 |
| Relative PSA | 0.15641 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.9253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione | 2 - (4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione
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