(5E)-5-[(2-fluorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C16H11N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-[(2-fluorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2-fluorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H11N2OFS |
| Smiles | O=C(/C(/NC1=S)=C\c(cccc2)c2F)N1c1ccccc1 |
| InChI | InChI=1S/C16H11FN2OS/c17-13-9-5-4-6-11(13)10-14-15(20)19(16(21)18-14)12-7-2-1-3-8-12/h1-10H,(H,18,21) |
| InChIK | WKOCWJGBOWRSHS-UHFFFAOYSA-N |
| TotalMolweight | 298.34 |
| Molweight | 298.34 |
| MonoisotopicMass | 298.057611 |
| CLogP | 3.0777 |
| CLogS | -4.617 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 222.8 |
| Relative PSA | 0.25157 |
| PolarSurfaceArea | 64.43 |
| Druglikeness | 1.3797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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