leflunomide

Ligand id: 6825

Name: leflunomide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.13
Molecular weight 270.06
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Munier-Lehmann H, Vidalain PO, Tangy F, Janin YL. (2013)
On dihydroorotate dehydrogenases and their inhibitors and uses.
J. Med. Chem.56 (8): 3148-67. [PMID:23452331]
2. Papageorgiou C, Albert R, Floersheim P, Lemaire M, Bitch F, Weber HP, Andersen E, Hungerford V, Schreier MH. (1998)
Pyrazole bioisosteres of leflunomide as B-cell immunosuppressants for xenotransplantation and chronic rejection: scope and limitations.
J. Med. Chem.41 (18): 3530-8. [PMID:9719606]