Ligand |
||
 | ||
| Ligand Name: F80C | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1198 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COC(=O)c(c1)ccc(c12)N(C(=O)C=C)CCN2CC3CC3 | ||
| Standard InChI: InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3 | ||
| Molecular Formula: C17H20N2O3 | Mol. Weight: 300.1474 | logP: 2.2222 |
| HBD: 0 | HBA: 4 | |
| #Rotatable Bonds: 4 | TPSA: 49.85 | |