(5Z)-3-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H13NO3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H13NO3S |
| Smiles | O=C(/C(/SC1=O)=C/c2ccc(-c3ccccc3)o2)N1c1ccccc1 |
| InChI | InChI=1S/C20H13NO3S/c22-19-18(25-20(23)21(19)15-9-5-2-6-10-15)13-16-11-12-17(24-16)14-7-3-1-4-8-14/h1-13H |
| InChIK | SRXJGYXYFDEBOO-UHFFFAOYSA-N |
| TotalMolweight | 347.393 |
| Molweight | 347.393 |
| MonoisotopicMass | 347.061614 |
| CLogP | 4.1764 |
| CLogS | -6.092 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.97 |
| Relative PSA | 0.23828 |
| PolarSurfaceArea | 75.82 |
| Druglikeness | 4.1477 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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