(4E)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione
Formula:C26H28N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C26H28N2O6S |
| Smiles | O/C(/c(cc1)ccc1S(N1CCCC1)(=O)=O)=C(\C(c1ccccc1)N(CC1OCCC1)C1=O)/C1=O |
| InChI | InChI=1S/C26H28N2O6S/c29-24(19-10-12-21(13-11-19)35(32,33)27-14-4-5-15-27)22-23(18-7-2-1-3-8-18)28(26(31)25(22)30)17-20-9-6-16-34-20/h1-3,7-8,10-13,20,23,29H,4-6,9,14-17H2 |
| InChIK | HGCCOLQTSMDBBO-UHFFFAOYSA-N |
| TotalMolweight | 496.582 |
| Molweight | 496.582 |
| MonoisotopicMass | 496.166808 |
| CLogP | 2.1037 |
| CLogS | -2.658 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 351.55 |
| Relative PSA | 0.24139 |
| PolarSurfaceArea | 112.6 |
| Druglikeness | 1.7403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(oxolan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione
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