Ligand id: 2194

Name: L023103

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 148.66
Molecular weight 624.19
XLogP 5.5
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Quattropani A, Dorbais J, Covini D, Pittet PA, Colovray V, Thomas RJ, Coxhead R, Halazy S, Scheer A, Missotten M et al.. (2005)
Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists.
J. Med. Chem., 48 (24): 7882-905. [PMID:16302826]