N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-naphthalen-2-yloxyacetamide
Formula:C20H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-naphthalen-2-yloxyacetamide is a drug-like molecule.
| MolName | N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-naphthalen-2-yloxyacetamide |
| MolecularFormula | C20H16N4O3 |
| Smiles | N/C(/NC(COc1cc2ccccc2cc1)=O)=N\c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C20H16N4O3/c21-19(24-20-22-16-7-3-4-8-17(16)27-20)23-18(25)12-26-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H3,21,22,23,24,25) |
| InChIK | LABUUDDKZNVFTC-UHFFFAOYSA-N |
| TotalMolweight | 360.372 |
| Molweight | 360.372 |
| MonoisotopicMass | 360.122241 |
| CLogP | 3.1237 |
| CLogS | -5.886 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 275.13 |
| Relative PSA | 0.31389 |
| PolarSurfaceArea | 102.74 |
| Druglikeness | 1.1665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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