(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enamide
Formula:C22H16N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enamide |
| MolecularFormula | C22H16N2O3 |
| Smiles | C#CCOc1c(/C=C(/C(NCc2ccco2)=O)\C#N)c2ccccc2cc1 |
| InChI | InChI=1S/C22H16N2O3/c1-2-11-27-21-10-9-16-6-3-4-8-19(16)20(21)13-17(14-23)22(25)24-15-18-7-5-12-26-18/h1,3-10,12-13H,11,15H2,(H,24,25) |
| InChIK | MCSKUWSPCXSRQA-UHFFFAOYSA-N |
| TotalMolweight | 356.38 |
| Molweight | 356.38 |
| MonoisotopicMass | 356.116093 |
| CLogP | 3.038 |
| CLogS | -5.516 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.27 |
| Relative PSA | 0.21127 |
| PolarSurfaceArea | 75.26 |
| Druglikeness | -1.5947 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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