(4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C22H19NO4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H19NO4F2 |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(cccc1)c1F)N(CC1OCCC1)C1=O)/C1=O |
| InChI | InChI=1S/C22H19F2NO4/c23-14-9-7-13(8-10-14)20(26)18-19(16-5-1-2-6-17(16)24)25(22(28)21(18)27)12-15-4-3-11-29-15/h1-2,5-10,15,19,26H,3-4,11-12H2 |
| InChIK | AILCTBIRCJEDET-UHFFFAOYSA-N |
| TotalMolweight | 399.392 |
| Molweight | 399.392 |
| MonoisotopicMass | 399.128215 |
| CLogP | 2.4405 |
| CLogS | -3.461 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.83 |
| Relative PSA | 0.18578 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | -2.2815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
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