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. Author manuscript; available in PMC: 2018 Oct 2.
Published in final edited form as: Nat Chem. 2018 Apr 2;10(7):704–714. doi: 10.1038/s41557-018-0033-8

Table 1.

Desirable chemical spaces described by Lipinski48 and Kihlberg55, 57.

Parameter Lipinski Kihlberg
molecular weight < 500 Da < 1000 Da
cLogP 0 < × <5 −2 < × < 10
# hydrogen bond donors < 5 < 6
# hydrogen bond acceptors < 10 < 15
# rotatable bonds < 10 < 20
polar surface area < 140 Å2 < 250 Å2