compound 9a [Patil et al., 1989]

Ligand id: 2958

Name: compound 9a [Patil et al., 1989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 49.83
Molecular weight 290.19
XLogP 5.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Patil AD, ChanJA, Lois-Flamberg P, Mayer RJ, Westley JW. (1989)
Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase.
J. Nat. Prod., 52: 153-161.