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Table 13 The different criteria for hit filtration

From: Discovery of dual rho-associated protein kinase 1 (ROCK1)/apoptosis signal–regulating kinase 1 (ASK1) inhibitors as a novel approach for non-alcoholic steatohepatitis (NASH) treatment

Criterion

Cutoff value

Oprea’s lead-like filter

 

Molecular weight

 < 450

logP

 ≤ 4.5

Number of hydrogen bond acceptors

 ≤ 8

Number of hydrogen bond donors

 ≤ 5

Mutagenic molecules filter

 = 0

Veber’s rule

 

Topological polar surface area

 < 140 Å2

logS

 ≥  − 5

PAINS Filter

No