(4Z)-4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C21H20N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C21H20N3O2F |
| Smiles | O=C(/C(/C1=O)=C/c(ccc(N2CCCCC2)c2)c2F)NN1c1ccccc1 |
| InChI | InChI=1S/C21H20FN3O2/c22-19-14-17(24-11-5-2-6-12-24)10-9-15(19)13-18-20(26)23-25(21(18)27)16-7-3-1-4-8-16/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,23,26) |
| InChIK | BJCMHWOKALDLTF-UHFFFAOYSA-N |
| TotalMolweight | 365.407 |
| Molweight | 365.407 |
| MonoisotopicMass | 365.153955 |
| CLogP | 2.2774 |
| CLogS | -4.196 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.44 |
| Relative PSA | 0.16325 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 2.5 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (4Z)-4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
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