Ligand id: 8820

Name: CCT129957

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 88.03
Molecular weight 309.11
XLogP 6.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Reynisson J, Court W, O'Neill C, Day J, Patterson L, McDonald E, Workman P, Katan M, Eccles SA. (2009)
The identification of novel PLC-gamma inhibitors using virtual high throughput screening.
Bioorg. Med. Chem., 17 (8): 3169-76. [PMID:19303309]