(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Formula:C24H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione |
| MolecularFormula | C24H20N2O3 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccncc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H20N2O3/c27-22(19-9-5-2-6-10-19)20-21(18-11-14-25-15-12-18)26(24(29)23(20)28)16-13-17-7-3-1-4-8-17/h1-12,14-15,21,27H,13,16H2/t21-/m0/s1 |
| InChIK | ZGSWLIYIQCGWAL-NRFANRHFSA-N |
| TotalMolweight | 384.434 |
| Molweight | 384.434 |
| MonoisotopicMass | 384.147393 |
| CLogP | 2.7864 |
| CLogS | -2.788 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.13 |
| Relative PSA | 0.1832 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | 0.73507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
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