 |
| Ligand Name:
1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol |
| HET ID: P1Q |
PubChem:
39242981
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: C[C@H]1CO[C@@H](CN1)c1cccc(c1)Cl |
| Standard InChI: InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1 |
| Molecular Formula: C11H14ClNO |
Mol. Weight: 211.68796 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: True |
logP: 2.7182 |
| HBD: 1 |
HBA: 2 |
TPSA: 21.26 |
| #Bonds: 17 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.45454547 |
| Stereocomplexity: 0.18181819 |
Ligand Type: Small Molecule |