N-[(Z)-(3,5-dihydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
Formula:C18H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-dihydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,5-dihydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide |
| MolecularFormula | C18H15N3O3S |
| Smiles | Oc1cc(/C=N\NC(CSc2cccc3cccnc23)=O)cc(O)c1 |
| InChI | InChI=1S/C18H15N3O3S/c22-14-7-12(8-15(23)9-14)10-20-21-17(24)11-25-16-5-1-3-13-4-2-6-19-18(13)16/h1-10,22-23H,11H2,(H,21,24) |
| InChIK | BLJKQCBSQGWFOJ-UHFFFAOYSA-N |
| TotalMolweight | 353.401 |
| Molweight | 353.401 |
| MonoisotopicMass | 353.083412 |
| CLogP | 3.039 |
| CLogS | -4.377 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 264.3 |
| Relative PSA | 0.34306 |
| PolarSurfaceArea | 120.11 |
| Druglikeness | 4.7666 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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