N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
Formula:C18H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C18H16N4O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C18H16N4O2/c19-17(23)12-22-11-14(15-8-4-5-9-16(15)22)10-20-21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,23)(H,21,24) |
| InChIK | WDLNNBXQLNCBMA-UHFFFAOYSA-N |
| TotalMolweight | 320.351 |
| Molweight | 320.351 |
| MonoisotopicMass | 320.127326 |
| CLogP | 1.9557 |
| CLogS | -3.465 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 250.82 |
| Relative PSA | 0.28383 |
| PolarSurfaceArea | 89.48 |
| Druglikeness | 7.0658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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