(5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C16H10N2O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H10N2O4S |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c3cc(C(OC4)=O)c4cc3)o2)NC1=S |
| InChI | InChI=1S/C16H10N2O4S/c19-14-12(17-16(23)18-14)6-10-3-4-13(22-10)8-1-2-9-7-21-15(20)11(9)5-8/h1-6H,7H2,(H2,17,18,19,23) |
| InChIK | ZKPCLUSBDPGCDC-UHFFFAOYSA-N |
| TotalMolweight | 326.331 |
| Molweight | 326.331 |
| MonoisotopicMass | 326.036128 |
| CLogP | 1.2219 |
| CLogS | -4.658 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.31 |
| Relative PSA | 0.42969 |
| PolarSurfaceArea | 112.66 |
| Druglikeness | 3.0454 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
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