Ligand id: 9279

Name: asimadoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 43.78
Molecular weight 414.23
XLogP 8.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gottschlich R, Ackermann KA, Barber A, Bartoszyk GD, Greiner HE. (1994)
EMD 61 753 as a favourable representative of structurally novel arylacetamido-type K opiate receptor agonists.
Bioorganic & Medicinal Chemistry Letters, 4 (4): 677–682.