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Table 1 Size classes of molecules and their definitions

From: Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

Class Criteria Total count in the Mcule database Reference
Fragment MW ≤ 250 166.458 [38]
logP ≤ 3.5
rotB ≤ 5
Leadlike 250 ≤ MW ≤ 350 1.234.403 [39]
logP ≤ 3.5
rotB ≤ 7
Druglike 150 ≤ MW ≤ 500 3.745.649 [40]
logP ≤ 5
rotB ≤ 7
PSA < 150
HBD ≤ 5
HBA ≤ 10