Ligand id: 7635

Name: Duo3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 50.94
Molecular weight 602.08
XLogP 9.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Tränkle C, Dittmann A, Schulz U, Weyand O, Buller S, Jöhren K, Heller E, Birdsall NJ, Holzgrabe U, Ellis J et al.. (2005)
Atypical muscarinic allosteric modulation: cooperativity between modulators and their atypical binding topology in muscarinic M2 and M2/M5 chimeric receptors.
Mol. Pharmacol., 68 (6): 1597-610. [PMID:16157694]