N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-phenylacetamide
Formula:C19H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C19H18N4O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(Cc2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C19H18N4O2/c20-18(24)13-23-12-15(16-8-4-5-9-17(16)23)11-21-22-19(25)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H2,20,24)(H,22,25) |
| InChIK | MHIPEYOZBCYHPJ-UHFFFAOYSA-N |
| TotalMolweight | 334.378 |
| Molweight | 334.378 |
| MonoisotopicMass | 334.142976 |
| CLogP | 1.9538 |
| CLogS | -3.43 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 264.58 |
| Relative PSA | 0.26907 |
| PolarSurfaceArea | 89.48 |
| Druglikeness | 7.0376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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