(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C25H21NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H21NO3 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C25H21NO3/c27-23(20-14-8-3-9-15-20)21-22(19-12-6-2-7-13-19)26(25(29)24(21)28)17-16-18-10-4-1-5-11-18/h1-15,22,27H,16-17H2/t22-/m0/s1 |
| InChIK | OMPFECNTEZOZFN-QFIPXVFZSA-N |
| TotalMolweight | 383.446 |
| Molweight | 383.446 |
| MonoisotopicMass | 383.152144 |
| CLogP | 3.7873 |
| CLogS | -3.583 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.37 |
| Relative PSA | 0.14516 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.73507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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