(E)-2-cyano-N-(furan-2-ylmethyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enamide
Formula:C17H17N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(furan-2-ylmethyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enamide |
| MolecularFormula | C17H17N3O3 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c1ccc(N2CCCC2)o1 |
| InChI | InChI=1S/C17H17N3O3/c18-11-13(17(21)19-12-15-4-3-9-22-15)10-14-5-6-16(23-14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,12H2,(H,19,21) |
| InChIK | FESDQGRENMSUNO-UHFFFAOYSA-N |
| TotalMolweight | 311.34 |
| Molweight | 311.34 |
| MonoisotopicMass | 311.126992 |
| CLogP | 1.9175 |
| CLogS | -4.197 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.63 |
| Relative PSA | 0.27532 |
| PolarSurfaceArea | 82.41 |
| Druglikeness | 0.78536 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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