(E)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
Formula:C17H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide |
| MolecularFormula | C17H17N3O |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C17H17N3O/c18-10-12(17(21)20-14-5-1-2-6-14)9-13-11-19-16-8-4-3-7-15(13)16/h3-4,7-9,11,14,19H,1-2,5-6H2,(H,20,21) |
| InChIK | AFISNYKBCDONGR-UHFFFAOYSA-N |
| TotalMolweight | 279.342 |
| Molweight | 279.342 |
| MonoisotopicMass | 279.137162 |
| CLogP | 2.5327 |
| CLogS | -4.092 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.1 |
| Relative PSA | 0.22919 |
| PolarSurfaceArea | 68.68 |
| Druglikeness | -3.5177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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