Ligand id: 1015

Name: fulvestrant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 76.74
Molecular weight 606.32
XLogP 10.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Schmidt JM, Mercure J, Tremblay GB, PagĂ© M, Kalbakji A, Feher M, Dunn-Dufault R, Peter MG, Redden PR. (2003)
De novo design, synthesis, and evaluation of novel nonsteroidal phenanthrene ligands for the estrogen receptor.
J. Med. Chem., 46 (8): 1408-18. [PMID:12672240]
2. Thomas P, Pang Y, Filardo EJ, Dong J. (2005)
Identity of an estrogen membrane receptor coupled to a G protein in human breast cancer cells.
Endocrinology, 146: 624-632. [PMID:15539556]