(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H15N3O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(5-nitrofuran-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-nitrofuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H15N3O6S |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N2CC(N3CCCCC3)=O)=O)\SC2=O)o1)=O |
| InChI | InChI=1S/C15H15N3O6S/c19-12(16-6-2-1-3-7-16)9-17-14(20)11(25-15(17)21)8-10-4-5-13(24-10)18(22)23/h4-5,8H,1-3,6-7,9H2 |
| InChIK | UTJYRWXREJRQSJ-UHFFFAOYSA-N |
| TotalMolweight | 365.365 |
| Molweight | 365.365 |
| MonoisotopicMass | 365.068157 |
| CLogP | 0.844 |
| CLogS | -3.815 |
| H Acceptors | 9 |
| TotalSurfaceArea | 258.23 |
| Relative PSA | 0.41916 |
| PolarSurfaceArea | 141.95 |
| Druglikeness | -0.43893 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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