(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C24H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C24H19NO3 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H19NO3/c26-22(19-14-8-3-9-15-19)20-21(18-12-6-2-7-13-18)25(24(28)23(20)27)16-17-10-4-1-5-11-17/h1-15,21,26H,16H2/t21-/m0/s1 |
| InChIK | GRIXWAPABYNXIF-NRFANRHFSA-N |
| TotalMolweight | 369.419 |
| Molweight | 369.419 |
| MonoisotopicMass | 369.136494 |
| CLogP | 3.3572 |
| CLogS | -3.471 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 280.61 |
| Relative PSA | 0.15228 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.56496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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