(E)-2-cyano-N-cyclopentyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
Formula:C24H28N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopentyl-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-cyclopentyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide |
| MolecularFormula | C24H28N4O3 |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C24H28N4O3/c25-13-17(24(30)27-19-6-1-2-7-19)12-18-15-28(22-10-4-3-9-21(18)22)16-23(29)26-14-20-8-5-11-31-20/h3-4,9-10,12,15,19-20H,1-2,5-8,11,14,16H2,(H,26,29)(H,27,30)/t20-/m1/s1 |
| InChIK | KATGBNIJOVPWJG-HXUWFJFHSA-N |
| TotalMolweight | 420.511 |
| Molweight | 420.511 |
| MonoisotopicMass | 420.216141 |
| CLogP | 1.8987 |
| CLogS | -3.912 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 333.74 |
| Relative PSA | 0.238 |
| PolarSurfaceArea | 96.15 |
| Druglikeness | -2.1133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-N-cyclopentyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclopentyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
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