compound 15a [PMID: 22464687]

Ligand id: 7578

Name: compound 15a [PMID: 22464687]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 90.23
Molecular weight 538.19
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ichikawa M, Ohtsuka M, Ohki H, Haginoya N, Itoh M, Sugita K, Usui H, Suzuki M, Terayama K, Kanda A. (2012)
Discovery of novel tricyclic compounds as squalene synthase inhibitors.
Bioorg. Med. Chem., 20 (9): 3072-93. [PMID:22464687]