compound 12 [PMID: 12723943]

Ligand id: 666

Name: compound 12 [PMID: 12723943]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 93.17
Molecular weight 579.33
XLogP 6.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Wood MR, Kim JJ, Han W, Dorsey BD, Homnick CF, DiPardo RM, Kuduk SD, MacNeil T, Murphy KL, Lis EV, Ransom RW, Stump GL, Lynch JJ, O'Malley SS, Miller PJ, Chen TB, Harrell CM, Chang RS, Sandhu P, Ellis JD, Bondiskey PJ, Pettibone DJ, Freidinger RM, Bock MG. (2003)
Benzodiazepines as potent and selective bradykinin B1 antagonists.
J Med Chem46: 1803-1806. [PMID:12723943]