Ligand id: 5224

Name: metyrapone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 42.85
Molecular weight 226.11
XLogP 2.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Watanuki M, Tilley BE, Hall PF. (1978)
Cytochrome P-450 for 11beta- and 18-hydroxylase activities of bovine adrenocortical mitochondria: one enzyme or two?.
Biochemistry, 17 (1): 127-30. [PMID:412519]
2. Zimmer C, Hafner M, Zender M, Ammann D, Hartmann RW, Vock CA. (2011)
N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2).
Bioorg. Med. Chem. Lett., 21 (1): 186-90. [PMID:21129965]