(E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
Formula:C19H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide |
| MolecularFormula | C19H20N4O3 |
| Smiles | NC(/C(/C#N)=C/c1cn(CC(NCC2OCCC2)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C19H20N4O3/c20-9-13(19(21)25)8-14-11-23(17-6-2-1-5-16(14)17)12-18(24)22-10-15-4-3-7-26-15/h1-2,5-6,8,11,15H,3-4,7,10,12H2,(H2,21,25)(H,22,24)/t15-/m1/s1 |
| InChIK | PTCLFKRCWTXRPM-OAHLLOKOSA-N |
| TotalMolweight | 352.393 |
| Molweight | 352.393 |
| MonoisotopicMass | 352.153541 |
| CLogP | 0.3335 |
| CLogS | -2.692 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.76 |
| Relative PSA | 0.30077 |
| PolarSurfaceArea | 110.14 |
| Druglikeness | -0.9487 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off