Table 3. Number of Molecules Compliant to the Specified Guidelines.
| guidelines | oral drugs (N = 1954) | ASAM (N = 66) | HA (N = 10,557) | MA (N = 6620) | IN (N = 7365) |
|---|---|---|---|---|---|
| Lipinski’s Ro5 | 1786 (91%) | 59 (89%) | 8713 (83%) | 5777 (87%) | 6451 (88%) |
| Veber’s rule | 1647 (84%) | 61 (92%) | 8693 (82%) | 5609 (85%) | 5933 (81%) |
| guideline-1 s-TPSA 5 to 65; s-RB ≤ 6; s-HBA ≤ 5; s-HBD ≤ 2 | 1338 (68%) | 60 (91%) | 8234 (78%) | 4823 (73%) | 4924 (67%) |
| guideline-2 s-TPSA 5 to 65; s-RB ≤ 6; s-HBA ≤ 5; s-HBD ≤ 2; MW ≥ 235 | 1114 (57%) | 60 (91%) | 8090 (77%) | 4639 (70%) | 4418 (60%) |