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. 2021 Feb 25;6(9):6424–6437. doi: 10.1021/acsomega.1c00104

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%)