(E)-2-cyano-N-cyclohexyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
Formula:C25H30N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclohexyl-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-cyclohexyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide |
| MolecularFormula | C25H30N4O3 |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C25H30N4O3/c26-14-18(25(31)28-20-7-2-1-3-8-20)13-19-16-29(23-11-5-4-10-22(19)23)17-24(30)27-15-21-9-6-12-32-21/h4-5,10-11,13,16,20-21H,1-3,6-9,12,15,17H2,(H,27,30)(H,28,31)/t21-/m1/s1 |
| InChIK | WJSQOLPXSKLQOT-OAQYLSRUSA-N |
| TotalMolweight | 434.538 |
| Molweight | 434.538 |
| MonoisotopicMass | 434.231791 |
| CLogP | 2.2407 |
| CLogS | -4.182 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 347.5 |
| Relative PSA | 0.22858 |
| PolarSurfaceArea | 96.15 |
| Druglikeness | -4.3861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-N-cyclohexyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclohexyl-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