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. Author manuscript; available in PMC: 2020 Jan 17.
Published in final edited form as: ACS Omega. 2019 Dec 24;5(1):822–831. doi: 10.1021/acsomega.9b03626

Table 5. The limits on the physicochemical properties used to filter the HTS library.

Property Minimum Maximum
Molecular Weight 250 650
Number of Heavy Atoms 0 50
Total Charge -2 2
Hydrogen Bond Acceptors 0 10
Hydrogen Bond Donors 0 6
clogP -5.0 6.0
Rotatable Bonds 0 10
Chiral Centres 0 4