Ligand id: 6825

Name: leflunomide

Structure and Physico-chemical Properties

2D Structure
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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 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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]