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. 2021 May 24;57(4):582–588. doi: 10.1134/S1070428021040126

Table 2.

Drug likeness parameters of compounds 517a

Compd. no. Formula Molecular weight NHBA NHBD LogP TPSA, Å2 V, Å3 DLS
5 C16H14N2O6S 362.06 6 5 –0.57 114.29 307.29 –0.73
6 C17H16N2O3 296.12 3 4 2.76 71.87 288.83 –0.16
7 C19H18N2O5S 386.09 5 5 1.40 97.61 340.44 –0.19
8 C17H16N2O5S 360.08 5 4 0.72 96.76 317.25 –0.66
9 C19H18N2O6S 402.09 6 4 0.24 106.48 355.56 –0.17
10 C18H17N3O6S 403.08 7 4 –0.53 110.07 353.50 –0.27
11 C17H16N2O5S 360.08 5 4 0.82 97.63 317.22 –0.57
12 C18H18N2O5S 374.09 5 4 1.34 97.63 335.12 –0.69
14 C18H18N4O8S 450.08 10 5 –0.74 150.24 380.77 –0.79
15 C20H22N4O6S 446.13 8 3 1.18 117.64 399.55 –0.60
16 C20H20N4O7S 460.11 9 3 0.04 126.10 402.62 –0.23
17 C23H18N4O8S 510.08 10 5 1.01 155.40 434.50 0.06

a NHBA is the number of hydrogen bond acceptor centers, NHBD is the number of hydrogen bond donor centers, LogP is the lipophilicity coefficient, TPSA is the topological polar surface area, V is the molecular volume, and DLS is the drug likeness score.