(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione
Formula:C20H19NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C20H19NO4 |
| Smiles | OCCCN(C(/C(/C1=O)=C(/c2ccccc2)\O)c2ccccc2)C1=O |
| InChI | InChI=1S/C20H19NO4/c22-13-7-12-21-17(14-8-3-1-4-9-14)16(19(24)20(21)25)18(23)15-10-5-2-6-11-15/h1-6,8-11,17,22-23H,7,12-13H2/t17-/m0/s1 |
| InChIK | LIINQKXHNLYPMS-KRWDZBQOSA-N |
| TotalMolweight | 337.374 |
| Molweight | 337.374 |
| MonoisotopicMass | 337.131409 |
| CLogP | 1.8731 |
| CLogS | -2.211 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 254.72 |
| Relative PSA | 0.21918 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | -1.1613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)-5-phenylpyrrolidine-2,3-dione
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