(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-phenylpyrrolidine-2,3-dione
Formula:C21H20NO5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C21H20NO5F |
| Smiles | OCCOCCN(C(/C(/C1=O)=C(/c(cc2)ccc2F)\O)c2ccccc2)C1=O |
| InChI | InChI=1S/C21H20FNO5/c22-16-8-6-15(7-9-16)19(25)17-18(14-4-2-1-3-5-14)23(21(27)20(17)26)10-12-28-13-11-24/h1-9,18,24-25H,10-13H2/t18-/m1/s1 |
| InChIK | OVVZFOHDGQONKZ-GOSISDBHSA-N |
| TotalMolweight | 385.39 |
| Molweight | 385.39 |
| MonoisotopicMass | 385.132552 |
| CLogP | 1.427 |
| CLogS | -2.176 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 284.83 |
| Relative PSA | 0.23112 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | -3.9627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-phenylpyrrolidine-2,3-dione
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