(4E)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C31H25NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C31H25NO4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cc(Oc2ccccc2)ccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C31H25NO4/c33-29(23-13-6-2-7-14-23)27-28(24-15-10-18-26(21-24)36-25-16-8-3-9-17-25)32(31(35)30(27)34)20-19-22-11-4-1-5-12-22/h1-18,21,28,33H,19-20H2/t28-/m0/s1 |
| InChIK | MTQSZSZCJQNVLM-NDEPHWFRSA-N |
| TotalMolweight | 475.542 |
| Molweight | 475.542 |
| MonoisotopicMass | 475.178359 |
| CLogP | 5.1829 |
| CLogS | -5.88 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 364.13 |
| Relative PSA | 0.14481 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | 0.68281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
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