N-(3-morpholin-4-ium-4-ylpropyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C20H25N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(3-morpholin-4-ium-4-ylpropyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-morpholin-4-ium-4-ylpropyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C20H25N4O3 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)NCCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C20H24N4O3/c25-19(21-9-4-10-24-11-13-27-14-12-24)20(26)23-22-15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,15H,4,9-14H2,(H,21,25)(H,23,26)/p+1 |
| InChIK | WTZYSGJZRRMURF-UHFFFAOYSA-O |
| TotalMolweight | 369.444 |
| Molweight | 369.444 |
| MonoisotopicMass | 369.192666 |
| CLogP | -0.3569 |
| CLogS | -3.384 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 308.2 |
| Relative PSA | 0.28585 |
| PolarSurfaceArea | 84.23 |
| Druglikeness | 1.9313 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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