Ligand id: 2818

Name: estrone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 270.16
XLogP 4.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bhatnagar AS, Häusler A, Schieweck K, Lang M, Bowman R. (1990)
Highly selective inhibition of estrogen biosynthesis by CGS 20267, a new non-steroidal aromatase inhibitor.
J. Steroid Biochem. Mol. Biol., 37 (6): 1021-7. [PMID:2149502]
2. Kuiper GG, Carlsson B, Grandien K, Enmark E, Häggblad J, Nilsson S, Gustafsson JA. (1997)
Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta.
Endocrinology, 138 (3): 863-70. [PMID:9048584]
3. Plourde PV, Dyroff M, Dukes M. (1994)
Arimidex: a potent and selective fourth-generation aromatase inhibitor.
Breast Cancer Res. Treat., 30 (1): 103-11. [PMID:7949201]