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. Author manuscript; available in PMC: 2022 May 18.
Published in final edited form as: Eur J Med Chem. 2021 Sep 16;226:113848. doi: 10.1016/j.ejmech.2021.113848

Table 7.

Predicted physicochemical properties calculated by using Molinspiration software for Q-a2, Q-c4 and PF74.

Compounds MW(Da) nON nOHNH nrotb TPSA(A2) miLogP nViol natoms MV(m3/mol)
Accepted range <500 <10 <5 ≤10 <140 <5 – –
Q-a2 834.82 14 2 16 157.90 4.39 2 60 715.67
Q-c4 820.84 13 2 16 140.83 5.07 3 59 713.49
PF74 425.53 5 2 7 65.20 4.43 0 32 402.55