N-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]-2-phenylsulfanylacetamide
Formula:C21H17NO3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]-2-phenylsulfanylacetamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]-2-phenylsulfanylacetamide |
| MolecularFormula | C21H17NO3S |
| Smiles | O=C(CSc1ccccc1)Nc1ccc(/C=C/C(c2ccco2)=O)cc1 |
| InChI | InChI=1S/C21H17NO3S/c23-19(20-7-4-14-25-20)13-10-16-8-11-17(12-9-16)22-21(24)15-26-18-5-2-1-3-6-18/h1-14H,15H2,(H,22,24) |
| InChIK | JFSOFZVMRWDSJL-UHFFFAOYSA-N |
| TotalMolweight | 363.436 |
| Molweight | 363.436 |
| MonoisotopicMass | 363.092914 |
| CLogP | 3.8528 |
| CLogS | -5.576 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.18 |
| Relative PSA | 0.24075 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | 2.9447 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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