(E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C29H30N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-(furan-2-ylmethyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C29H30N2O4 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)ccc1OCCOc1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C29H30N2O4/c30-20-25(29(32)31-21-28-7-4-16-33-28)19-22-8-12-26(13-9-22)34-17-18-35-27-14-10-24(11-15-27)23-5-2-1-3-6-23/h4,7-16,19,23H,1-3,5-6,17-18,21H2,(H,31,32) |
| InChIK | BHNMLJDMKNNIFT-UHFFFAOYSA-N |
| TotalMolweight | 470.567 |
| Molweight | 470.567 |
| MonoisotopicMass | 470.220558 |
| CLogP | 5.3782 |
| CLogS | -6.303 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 387.18 |
| Relative PSA | 0.1864 |
| PolarSurfaceArea | 84.49 |
| Druglikeness | -13.386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]-N-(furan-2-ylmethyl)prop-2-enamide
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