(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C31H25NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C31H25NO4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1OCc1ccccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C31H25NO4/c33-29(25-14-8-3-9-15-25)27-28(32(31(35)30(27)34)20-22-10-4-1-5-11-22)24-16-18-26(19-17-24)36-21-23-12-6-2-7-13-23/h1-19,28,33H,20-21H2/t28-/m0/s1 |
| InChIK | FGOBMRVZLDJKQE-NDEPHWFRSA-N |
| TotalMolweight | 475.542 |
| Molweight | 475.542 |
| MonoisotopicMass | 475.178359 |
| CLogP | 4.7053 |
| CLogS | -4.812 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 364.13 |
| Relative PSA | 0.14481 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | 0.30208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| 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 | 8 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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