Structure Diversity Core Library

Most compounds have a molecular weight less than 500, mainly from 250 to 450, facilitating modification and optimization;
Most compounds have a LogP less than 5, indicating favorable solubility.
Hydrogen Bond Acceptor (HBA) and Hydrogen Bond Donor (HBD) counts generally adhere to the Rule of Five (Ro5).
Have Topological Polar Surface Area (TPSA) <110, and the majority of compounds have 10 or fewer rotatable bonds, complying with the Veber?s rule.
Quantitative Estimate of Drug
likeness (QED) is predominantly between 0.5 and 0.9, indicating excellent drug
likeness.
Fsp3 is evenly distributed with good 3D structural diversity.

Compound Libraries for HTS/HCS

50000