Ligand id: 9003

Name: ADL5747

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 61.8
Molecular weight 392.21
XLogP 3.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Le Bourdonnec B, Windh RT, Leister LK, Zhou QJ, Ajello CW, Gu M, Chu GH, Tuthill PA, Barker WM, Koblish M et al.. (2009)
Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747).
J. Med. Chem., 52 (18): 5685-702. [PMID:19694468]