(4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Formula:C21H13N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C21H13N3O3F2 |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(cccc1)c1F)N(C1=O)c2ncccn2)/C1=O |
| InChI | InChI=1S/C21H13F2N3O3/c22-13-8-6-12(7-9-13)18(27)16-17(14-4-1-2-5-15(14)23)26(20(29)19(16)28)21-24-10-3-11-25-21/h1-11,17,27H/t17-/m1/s1 |
| InChIK | UAQHDNPYQJILLG-QGZVFWFLSA-N |
| TotalMolweight | 393.348 |
| Molweight | 393.348 |
| MonoisotopicMass | 393.092498 |
| CLogP | 2.4422 |
| CLogS | -3.888 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.07 |
| Relative PSA | 0.23341 |
| PolarSurfaceArea | 83.39 |
| Druglikeness | -1.9253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione | 2 - (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione
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