(E)-2-cyano-3-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C25H24N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C25H24N3O3F |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1cn(CCOc(cc2)ccc2F)c2c1cccc2 |
| InChI | InChI=1S/C25H24FN3O3/c26-20-7-9-21(10-8-20)32-13-11-29-17-19(23-5-1-2-6-24(23)29)14-18(15-27)25(30)28-16-22-4-3-12-31-22/h1-2,5-10,14,17,22H,3-4,11-13,16H2,(H,28,30)/t22-/m1/s1 |
| InChIK | QUXARGDTGNGRBZ-JOCHJYFZSA-N |
| TotalMolweight | 433.482 |
| Molweight | 433.482 |
| MonoisotopicMass | 433.18017 |
| CLogP | 3.1271 |
| CLogS | -4.405 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 340.36 |
| Relative PSA | 0.19077 |
| PolarSurfaceArea | 76.28 |
| Druglikeness | -2.2628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-2-cyano-3-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
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