Ligand |
||
 | ||
| Ligand Name: (2S,3S)-2-(6-methoxynaphthalen-2-yl)-3-methyloxirane | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB161 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COc(c1)ccc(c12)cc(cc2)[C@@H]3O[C@H]3C | ||
| Standard InChI: InChI=1S/C14H14O2/c1-9-14(16-9)12-4-3-11-8-13(15-2)6-5-10(11)7-12/h3-9,14H,1-2H3/t9-,14+/m0/s1 | ||
| Molecular Formula: C14H14O2 | Mol. Weight: 214.09938 | logP: 3.3082 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 2 | TPSA: 21.76 | |