Ligand |
||
 | ||
| Ligand Name: NCL-00025058 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1374 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ClCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC=C | ||
| Standard InChI: InChI=1S/C9H15ClN2O3/c1-3-4-11-9(15)8(6(2)13)12-7(14)5-10/h3,6,8,13H,1,4-5H2,2H3,(H,11,15)(H,12,14)/t6-,8-/m1/s1 | ||
| Molecular Formula: C9H15ClN2O3 | Mol. Weight: 234.07712 | logP: -0.607 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 6 | TPSA: 78.43 | |