 |
| Ligand Name:
(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine |
| HET ID: XRS |
PubChem:
70701321
|
| DrugBank: - |
ChEMBL: CHEMBL2312565 |
| Canonical SMILES: CN([C@@H](CCOc1nccn1C)C)C |
| Standard InChI: InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1 |
| Molecular Formula: C10H19N3O |
Mol. Weight: 197.27736 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: True |
logP: 1.1391 |
| HBD: 0 |
HBA: 4 |
TPSA: 30.29 |
| #Bonds: 15 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.7 |
| Stereocomplexity: 0.1 |
Ligand Type: Small Molecule |