(4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C22H20NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H20NO4F |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1F)N(CC1OCCC1)C1=O)/C1=O |
| InChI | InChI=1S/C22H20FNO4/c23-16-10-8-14(9-11-16)19-18(20(25)15-5-2-1-3-6-15)21(26)22(27)24(19)13-17-7-4-12-28-17/h1-3,5-6,8-11,17,19,25H,4,7,12-13H2 |
| InChIK | TYOXNODVSHSVFH-UHFFFAOYSA-N |
| TotalMolweight | 381.402 |
| Molweight | 381.402 |
| MonoisotopicMass | 381.137637 |
| CLogP | 2.3397 |
| CLogS | -3.147 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.48 |
| Relative PSA | 0.19003 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | -2.2815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - (4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
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