 |
| Ligand Name:
5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine |
| HET ID: 2OD |
PubChem:
76285486,
51351707
|
| DrugBank: - |
ChEMBL: CHEMBL3109630 |
| Canonical SMILES: COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N |
| Standard InChI: InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) |
| Molecular Formula: C19H27N3O2 |
Mol. Weight: 329.43658 |
Heavy Atoms: 24 |
| Charge: 0 |
Is Chiral: False |
logP: 3.0577 |
| HBD: 1 |
HBA: 5 |
TPSA: 60.08 |
| #Bonds: 27 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.6315789 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |