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]
rotB ≤ 7
Druglike
150 ≤ MW ≤ 500
3.745.649
[40]
logP ≤ 5
PSA < 150
HBD ≤ 5
HBA ≤ 10