(4E,5S)-5-(3-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione
Formula:C23H15NO3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-5-(3-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-5-(3-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H15NO3F2 |
| Smiles | O/C(/c(cc1)ccc1F)=C(\[C@H](c1cccc(F)c1)N(C1=O)c2ccccc2)/C1=O |
| InChI | InChI=1S/C23H15F2NO3/c24-16-11-9-14(10-12-16)21(27)19-20(15-5-4-6-17(25)13-15)26(23(29)22(19)28)18-7-2-1-3-8-18/h1-13,20,27H/t20-/m0/s1 |
| InChIK | GFKAFTOLTSNDFD-FQEVSTJZSA-N |
| TotalMolweight | 391.372 |
| Molweight | 391.372 |
| MonoisotopicMass | 391.102 |
| CLogP | 3.6359 |
| CLogS | -4.621 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.55 |
| Relative PSA | 0.15285 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.9253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5S)-5-(3-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione | 2 - (4E,5S)-5-(3-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione
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