(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C32H26NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C32H26NO4Cl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1OCc1ccccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C32H26ClNO4/c33-26-15-11-25(12-16-26)30(35)28-29(34(32(37)31(28)36)20-19-22-7-3-1-4-8-22)24-13-17-27(18-14-24)38-21-23-9-5-2-6-10-23/h1-18,29,35H,19-21H2/t29-/m1/s1 |
| InChIK | KPQYLZSEZVDILX-GDLZYMKVSA-N |
| TotalMolweight | 524.014 |
| Molweight | 524.014 |
| MonoisotopicMass | 523.155036 |
| CLogP | 5.7414 |
| CLogS | -5.66 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 393.31 |
| Relative PSA | 0.13407 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | 0.54459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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