compound 1b [PMID: 18078750]

Ligand id: 8627

Name: compound 1b [PMID: 18078750]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 105.2
Molecular weight 405.14
XLogP 9.81
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Deaton DN, Gao EN, Graham KP, Gross JW, Miller AB, Strelow JM. (2008)
Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite.
Bioorg. Med. Chem. Lett., 18 (2): 732-7. [PMID:18078750]