(5E)-5-[(4-oxochromen-3-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C19H16N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-oxochromen-3-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-oxochromen-3-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C19H16N2O5S |
| Smiles | O=C(CN(C(/C(/S1)=C\C2=COc(cccc3)c3C2=O)=O)C1=O)N1CCCC1 |
| InChI | InChI=1S/C19H16N2O5S/c22-16(20-7-3-4-8-20)10-21-18(24)15(27-19(21)25)9-12-11-26-14-6-2-1-5-13(14)17(12)23/h1-2,5-6,9,11H,3-4,7-8,10H2 |
| InChIK | HTRMJBYHQUWBFZ-UHFFFAOYSA-N |
| TotalMolweight | 384.411 |
| Molweight | 384.411 |
| MonoisotopicMass | 384.077993 |
| CLogP | 1.6392 |
| CLogS | -3.448 |
| H Acceptors | 7 |
| TotalSurfaceArea | 270.07 |
| Relative PSA | 0.32121 |
| PolarSurfaceArea | 109.29 |
| Druglikeness | 5.5249 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[(4-oxochromen-3-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(4-oxochromen-3-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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