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. 2020 Apr 14;6(4):e03724. doi: 10.1016/j.heliyon.2020.e03724

Table 2.

Calculated ADME parameters of the designed compounds.

Comp MW iLOGP HBD HBA TPSA RB nAH MR PAINS #alert Brenk #alert
9a 480.21 2.35 1 9 71.62 7 12 94.45 0 0
9b 461.76 2.28 2 10 91.85 7 12 91.46 0 0
9c 477.83 2.25 1 9 110.42 7 12 96.69 0 1
9d 480.21 2.11 1 9 71.62 7 12 94.45 0 0
9e 460.78 1.86 2 9 97.64 7 12 93.85 0 1
9f 480.21 2.35 1 9 71.62 7 12 94.45 0 0
9g 512.27 1.94 1 9 110.42 7 12 101.7 0 1
9h 493.83 2.22 2 10 130.65 7 12 98.72 0 1
9i 479.75 1.8 2 11 91.85 7 12 91.42 0 0
9j 461.76 2.1 2 10 91.85 7 12 91.46 0 0
9k 463.73 2.61 1 10 71.62 7 12 89.4 0 0
9l 555.85 2.76 2 11 91.85 8 18 116.68 0 0