 |
| Ligand Name:
5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine |
| HET ID: Q9S |
PubChem:
121256372
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Nc1nnc(s1)OC1CCN(CC1)c1nnc(s1)N |
| Standard InChI: InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13) |
| Molecular Formula: C9H13N7OS2 |
Mol. Weight: 299.37582 |
Heavy Atoms: 19 |
| Charge: 0 |
Is Chiral: False |
logP: 1.8292 |
| HBD: 2 |
HBA: 10 |
TPSA: 172.55 |
| #Bonds: 21 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |