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. 2022 Sep 26;13(10):1598–1605. doi: 10.1021/acsmedchemlett.2c00279

Table 2. MPO Score and Its Component Parameter Values.

compd CLogP CLogD MW TPSA HBD CNS MPO score
ISQ 4.735 2.74 401.2 29.02 0 3.83
SQ1,2 4.301 2.734 337.4 38.25 0 4.77
SQ3,4 4.207 3.207 336.4 25.36 0 4.17
SQ5,6 4.207 3.207 336.4 25.36 0 4.17
SQ7,8 3.564 3.564 360.4 52.83 0 4.94
SQ9,10 3.023 2.678 337.4 38.25 0 5.32
SQ11,12 3.987 3.987 338.3 67.94 0 4.60
SQ13,14 3.924 3.481 424.5 43.82 0 4.58
SQ15,16 3.321 2.555 366.4 45.59 1 5.10