(5E)-3-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H13NO2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H13NO2S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c3ccccc3)o2)N1c1ccccc1 |
| InChI | InChI=1S/C20H13NO2S2/c22-19-18(25-20(24)21(19)15-9-5-2-6-10-15)13-16-11-12-17(23-16)14-7-3-1-4-8-14/h1-13H |
| InChIK | AMYLSDZHOCFCPU-UHFFFAOYSA-N |
| TotalMolweight | 363.46 |
| Molweight | 363.46 |
| MonoisotopicMass | 363.038769 |
| CLogP | 3.8312 |
| CLogS | -6.443 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.93 |
| Relative PSA | 0.28018 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 3.765 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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