compound 15 [Biller et al., 1993]

Ligand id: 3131

Name: compound 15 [Biller et al., 1993]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 123.68
Molecular weight 402.14
XLogP 3.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Biller SA, Abt JW, Pudzianowski AT, Rich LC, Slusarchyk DA, Ciosek Jr CP. (1993)
Aromatic isosteres as conformational probes for an isoprenyl subunit: application to inhibitors of squalene synthase.
Bioorg. Med. Chem. Lett., 3 (4): 595-600.