(E)-2-cyano-N-cyclopropyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
Formula:C22H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopropyl-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-cyclopropyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide |
| MolecularFormula | C22H24N4O3 |
| Smiles | N#C/C(/C(NC1CC1)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C22H24N4O3/c23-11-15(22(28)25-17-7-8-17)10-16-13-26(20-6-2-1-5-19(16)20)14-21(27)24-12-18-4-3-9-29-18/h1-2,5-6,10,13,17-18H,3-4,7-9,12,14H2,(H,24,27)(H,25,28)/t18-/m1/s1 |
| InChIK | IIUIGTAZGNMYSY-GOSISDBHSA-N |
| TotalMolweight | 392.458 |
| Molweight | 392.458 |
| MonoisotopicMass | 392.184841 |
| CLogP | 1.2147 |
| CLogS | -3.372 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 306.22 |
| Relative PSA | 0.25939 |
| PolarSurfaceArea | 96.15 |
| Druglikeness | -0.22647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 10 |
| Symmetricatoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-N-cyclopropyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclopropyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
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