(2S)-2-hydroxy-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
Formula:C26H22N2O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(2S)-2-hydroxy-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-2-hydroxy-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C26H22N2O3 |
| Smiles | O[C@H](C(N/N=C\c1cc(OCc2cccc3ccccc23)ccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C26H22N2O3/c29-25(21-10-2-1-3-11-21)26(30)28-27-17-19-8-6-14-23(16-19)31-18-22-13-7-12-20-9-4-5-15-24(20)22/h1-17,25,29H,18H2,(H,28,30)/t25-/m0/s1 |
| InChIK | MVQHTWOZXLJTLC-VWLOTQADSA-N |
| TotalMolweight | 410.472 |
| Molweight | 410.472 |
| MonoisotopicMass | 410.163043 |
| CLogP | 4.6721 |
| CLogS | -6.085 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 323.96 |
| Relative PSA | 0.18246 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.8506 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2S)-2-hydroxy-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide | 2 - (2S)-2-hydroxy-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
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