(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
Formula:C28H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C28H20N2O4 |
| Smiles | O/C(/c1ccccc1)=C(\[C@@H](c1cc(Oc2ccccc2)ccc1)N(C1=O)c2ncccc2)/C1=O |
| InChI | InChI=1S/C28H20N2O4/c31-26(19-10-3-1-4-11-19)24-25(30(28(33)27(24)32)23-16-7-8-17-29-23)20-12-9-15-22(18-20)34-21-13-5-2-6-14-21/h1-18,25,31H/t25-/m0/s1 |
| InChIK | QBAIHOWWWJMBPH-VWLOTQADSA-N |
| TotalMolweight | 448.477 |
| Molweight | 448.477 |
| MonoisotopicMass | 448.142308 |
| CLogP | 4.1804 |
| CLogS | -6.02 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.37 |
| Relative PSA | 0.18994 |
| PolarSurfaceArea | 79.73 |
| Druglikeness | -0.63971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione | 2 - (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
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