(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C32H27NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C32H27NO4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1OCc1ccccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C32H27NO4/c34-30(26-14-8-3-9-15-26)28-29(33(32(36)31(28)35)21-20-23-10-4-1-5-11-23)25-16-18-27(19-17-25)37-22-24-12-6-2-7-13-24/h1-19,29,34H,20-22H2/t29-/m0/s1 |
| InChIK | SLCQFPYEXGXRHV-LJAQVGFWSA-N |
| TotalMolweight | 489.569 |
| Molweight | 489.569 |
| MonoisotopicMass | 489.194009 |
| CLogP | 5.1354 |
| CLogS | -4.924 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 377.89 |
| Relative PSA | 0.13954 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | 0.49333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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