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 |