Table 2.
Parameters | M_78 | M_82 | M_83 | M_88 | M_111 | M_112 | M_201 | M_366 | M_421 | M_505 |
---|---|---|---|---|---|---|---|---|---|---|
MW | 410.37 | 399.28 | 414.32 | 439.35 | 458.46 | 340.33 | 382.32 | 366.32 | 540.60 | 554.63 |
Acceptable Range | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 | ≤ 500 |
NHBA | 8 | 10 | 10 | 10 | 7 | 6 | 8 | 7 | 9 | 9 |
Acceptable Range | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 | ≤ 10 |
NHBD | 4 | 4 | 4 | 4 | 4 | 5 | 5 | 4 | 4 | 3 |
Acceptable Range | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 |
MR | 108.40 | 95.81 | 102.07 | 110.38 | 127.88 | 93.92 | 100.77 | 98.75 | 136.97 | 141.70 |
Acceptable Range | 40–130 | 40–130 | 40–130 | 40–130 | 40–130 | 40–130 | 40–130 | 40–130 | 40–130 | 40–130 |
iLOGp | 2.39 | 1.48 | 2.37 | 2.26 | 2.72 | 2.15 | 1.74 | 1.83 | 3.811 | 2.93 |
Acceptable Range | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 | ≤ 5 |
The parameters MW molecular weight, NHBA number of H-bond acceptors, NHBA number of H-bond donors, MR molar refractivity, iLOGp n-Octanol/Water partition coefficient).