(4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C31H24NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C31H24NO4F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(cc1)ccc1OCc1ccccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C31H24FNO4/c32-25-15-11-24(12-16-25)29(34)27-28(33(31(36)30(27)35)19-21-7-3-1-4-8-21)23-13-17-26(18-14-23)37-20-22-9-5-2-6-10-22/h1-18,28,34H,19-20H2/t28-/m1/s1 |
| InChIK | QHSALYAQXZWVNH-MUUNZHRXSA-N |
| TotalMolweight | 493.533 |
| Molweight | 493.533 |
| MonoisotopicMass | 493.168937 |
| CLogP | 4.8061 |
| CLogS | -5.126 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 370.48 |
| Relative PSA | 0.14233 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | -1.0379 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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