 |
| Ligand Name:
(3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol |
| HET ID: 0H7 |
PubChem:
1166471
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OC(c1ccc(s1)Cl)(c1ccc(s1)Cl)[C@H]1CN2CCC1CC2 |
| Standard InChI: InChI=1S/C16H17Cl2NOS2/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19/h1-4,10-11,20H,5-9H2/t11-/m0/s1 |
| Molecular Formula: C16H17Cl2NOS2 |
Mol. Weight: 374.34827 |
Heavy Atoms: 22 |
| Charge: 0 |
Is Chiral: True |
logP: 4.632 |
| HBD: 1 |
HBA: 4 |
TPSA: 79.95 |
| #Bonds: 26 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.5 |
| Stereocomplexity: 0.1875 |
Ligand Type: Small Molecule |