(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide
Formula:C19H18N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide |
| MolecularFormula | C19H18N2O3S |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c(o1)ccc1Sc1ccccc1 |
| InChI | InChI=1S/C19H18N2O3S/c20-12-14(19(22)21-13-16-5-4-10-23-16)11-15-8-9-18(24-15)25-17-6-2-1-3-7-17/h1-3,6-9,11,16H,4-5,10,13H2,(H,21,22)/t16-/m1/s1 |
| InChIK | XLFGSUOYEJLNOT-MRXNPFEDSA-N |
| TotalMolweight | 354.429 |
| Molweight | 354.429 |
| MonoisotopicMass | 354.103813 |
| CLogP | 2.6866 |
| CLogS | -4.179 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.87 |
| Relative PSA | 0.28463 |
| PolarSurfaceArea | 100.56 |
| Druglikeness | -1.4404 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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