Ligand id: 6509

Name: BMS-561392

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 117.78
Molecular weight 476.24
XLogP 4.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. DasGupta S, Murumkar PR, Giridhar R, Yadav MR. (2009)
Current perspective of TACE inhibitors: a review.
Bioorg. Med. Chem.17 (2): 444-59. [PMID:19095454]
2. Grootveld M, McDermott MF. (2003)
BMS-561392. Bristol-Myers Squibb.
Curr Opin Investig Drugs4 (5): 598-602. [PMID:12833656]