(E)-2-cyano-N-(2-fluorophenyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
Formula:C25H23N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-fluorophenyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-fluorophenyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide |
| MolecularFormula | C25H23N4O3F |
| Smiles | N#C/C(/C(Nc(cccc1)c1F)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C25H23FN4O3/c26-21-8-2-3-9-22(21)29-25(32)17(13-27)12-18-15-30(23-10-4-1-7-20(18)23)16-24(31)28-14-19-6-5-11-33-19/h1-4,7-10,12,15,19H,5-6,11,14,16H2,(H,28,31)(H,29,32)/t19-/m1/s1 |
| InChIK | QPHMWURIIOQTEB-LJQANCHMSA-N |
| TotalMolweight | 446.481 |
| Molweight | 446.481 |
| MonoisotopicMass | 446.175419 |
| CLogP | 2.4945 |
| CLogS | -4.429 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 345.81 |
| Relative PSA | 0.22969 |
| PolarSurfaceArea | 96.15 |
| Druglikeness | -2.4246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-N-(2-fluorophenyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(2-fluorophenyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
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