 |
| Ligand Name:
(5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane |
| HET ID: TII |
PubChem:
91754969
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(Oc1cncc(c1)N1CC[C@@]2(C1)CCCN2C)C |
| Standard InChI: InChI=1S/C16H25N3O/c1-13(2)20-15-9-14(10-17-11-15)19-8-6-16(12-19)5-4-7-18(16)3/h9-11,13H,4-8,12H2,1-3H3/t16-/m1/s1 |
| Molecular Formula: C16H25N3O |
Mol. Weight: 275.3892 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: True |
logP: 2.5462 |
| HBD: 0 |
HBA: 4 |
TPSA: 28.6 |
| #Bonds: 22 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.6875 |
| Stereocomplexity: 0.0625 |
Ligand Type: Small Molecule |