Ligand id: 9469

Name: MRS4162  

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 10
Rotatable bonds 39
Topological polar surface area 467.74
Molecular weight 1387.36
XLogP 3.23
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Jayasekara PS, Barrett MO, Ball CB, Brown KA, Hammes E, Balasubramanian R, Harden TK, Jacobson KA. (2014)
4-Alkyloxyimino derivatives of uridine-5'-triphosphate: distal modification of potent agonists as a strategy for molecular probes of P2Y2, P2Y4, and P2Y6 receptors.
J. Med. Chem., 57 (9): 3874-83. [PMID:24712832]