(E)-3-(4-fluorophenyl)-N-[(phenylcarbamothioylamino)carbamothioyl]prop-2-enamide
Formula:C17H15N4OFS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(4-fluorophenyl)-N-[(phenylcarbamothioylamino)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-[(phenylcarbamothioylamino)carbamothioyl]prop-2-enamide |
| MolecularFormula | C17H15N4OFS2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(NNC(Nc1ccccc1)=S)=S |
| InChI | InChI=1S/C17H15FN4OS2/c18-13-9-6-12(7-10-13)8-11-15(23)20-17(25)22-21-16(24)19-14-4-2-1-3-5-14/h1-11H,(H2,19,21,24)(H2,20,22,23,25) |
| InChIK | VXHBFAVQWUHRNE-UHFFFAOYSA-N |
| TotalMolweight | 374.463 |
| Molweight | 374.463 |
| MonoisotopicMass | 374.067129 |
| CLogP | 2.6206 |
| CLogS | -5.139 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 294.88 |
| Relative PSA | 0.38958 |
| PolarSurfaceArea | 129.37 |
| Druglikeness | -0.86955 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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