(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C26H27N2O6FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C26H27N2O6FS |
| Smiles | O/C(/c(cc1)ccc1S(N1CCCC1)(=O)=O)=C(\C(c(cc1)ccc1F)N(CC1OCCC1)C1=O)/C1=O |
| InChI | InChI=1S/C26H27FN2O6S/c27-19-9-5-17(6-10-19)23-22(25(31)26(32)29(23)16-20-4-3-15-35-20)24(30)18-7-11-21(12-8-18)36(33,34)28-13-1-2-14-28/h5-12,20,23,30H,1-4,13-16H2 |
| InChIK | MBDPYPZOZZTVRJ-UHFFFAOYSA-N |
| TotalMolweight | 514.572 |
| Molweight | 514.572 |
| MonoisotopicMass | 514.157386 |
| CLogP | 2.2045 |
| CLogS | -2.972 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 357.9 |
| Relative PSA | 0.23711 |
| PolarSurfaceArea | 112.6 |
| Druglikeness | 0.97192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon | unknown chirality |
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1 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
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