compound 4e [PMID: 7966163]

Ligand id: 3090

Name: compound 4e [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 28
Topological polar surface area 244.68
Molecular weight 827.37
XLogP 8.56
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

References
1. Ponpipom MM, Girotra NN, Bugianesi RL, Roberts CD, Berger GD, Burk RM, Marquis RW, Parsons WH, Bartizal KF, Bergstom JD. (1994)
Structure-activity relationships of C1 and C6 side chains of zaragozic acid A derivatives.
J. Med. Chem.37 (23): 4031-51. [PMID:7966163]