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. 2021 Jan 31;36(1):549–560. doi: 10.1080/14756366.2020.1759582

Table 3.

Prediction of physicochemical propertiesa of 3 and 6–31.

Compound miLogP TPSA natoms MW nON nOHNH nrotb
Standard <5 <140   <500 <10 <5 ≤10
3 3.48 41.37 48 380.87 2 0 4
6–31 2.29 85.61 54 408.45 6 0 6
a

miLogP: molinspiration predicted Log P; TPSA: topological polar surface area; natoms: No. of atoms; MW: molecular weight; nON: No. of hydrogen bond acceptors; nOHNH: No. of hydrogen bond donors; nrotb: No. of rotatable bonds.