(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C19H23N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C19H23N3O5S |
| Smiles | O=C(CN(C(/C(/S1)=C/c2ccc(N3CCOCC3)o2)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C19H23N3O5S/c23-16(20-6-2-1-3-7-20)13-22-18(24)15(28-19(22)25)12-14-4-5-17(27-14)21-8-10-26-11-9-21/h4-5,12H,1-3,6-11,13H2 |
| InChIK | KDQZLJDOLKEYAL-UHFFFAOYSA-N |
| TotalMolweight | 405.474 |
| Molweight | 405.474 |
| MonoisotopicMass | 405.135842 |
| CLogP | 1.4346 |
| CLogS | -3.458 |
| H Acceptors | 8 |
| TotalSurfaceArea | 296.4 |
| Relative PSA | 0.30827 |
| PolarSurfaceArea | 108.6 |
| Druglikeness | 3.134 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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