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. 2020 Feb 14;11(2):307–316. doi: 10.1039/d0md00009d

Table 5. Molecular properties of compounds 1 through 5.

Properties 1 2 3 4 5
mlog P 2.43 2.45 1.72 3.14 3.77
tPSA (Å2) 66.84 92.18 92.42 79.29 86.62
N atoms 20 21 16 21 22
MW 299.39 307.38 244.32 306.39 321.40
HBA 5 6 5 5 5
HBD 1 2 4 2 3
N violations 0 0 0 0 0
NRB 3 4 3 4 4
Molar volume (Å3) 268.14 265.50 213.69 269.66 281.83