(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Formula:C27H24N3O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C27H24N3O5FS |
| Smiles | O/C(/c(cc1)ccc1S(N1CCCC1)(=O)=O)=C(\C(c(cc1)ccc1F)N(Cc1cnccc1)C1=O)/C1=O |
| InChI | InChI=1S/C27H24FN3O5S/c28-21-9-5-19(6-10-21)24-23(26(33)27(34)31(24)17-18-4-3-13-29-16-18)25(32)20-7-11-22(12-8-20)37(35,36)30-14-1-2-15-30/h3-13,16,24,32H,1-2,14-15,17H2/t24-/m1/s1 |
| InChIK | XQVPNJJCBCDKTP-XMMPIXPASA-N |
| TotalMolweight | 521.568 |
| Molweight | 521.568 |
| MonoisotopicMass | 521.14207 |
| CLogP | 2.3219 |
| CLogS | -2.815 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 366.14 |
| Relative PSA | 0.23442 |
| PolarSurfaceArea | 116.26 |
| Druglikeness | 1.8066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
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