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. 2019 Sep 20;92(3):369–383.

Table 5. ADME properties of the selected compounds/drugs.

Compound or Drug PubChem ID MiLogP TPSA (Å2) MW (g/mol) nON nOHNH NoV nRotB MV (A3)
Clindamycin hydrochloride 2.06 102.25 424.99 7 4 0 7 384.72
Mecamylamine 2.96 12.03 167.30 1 1 0 1 186.67
Chloroquine 5.00 28.16 319.88 3 1 1 8 313.12
Azaperone 2.88 36.44 327.40 4 0 0 6 307.55
Atropine 1.77 49.77 289.38 4 1 0 5 279.01
Niflumic acid 3.42 62.22 282.22 4 2 0 4 222.00
Sulfuretin 1.76 90.89 270.24 5 3 0 1 224.05
Homobutein 2.59 86.99 286.28 5 3 0 4 251.45
Arbutin -0.81 119.61 272.25 7 5 0 3 232.20
Rhapontin 1.02 149.07 420.41 9 6 1 6 364.59
Pyrimethamine 2.84 77.83 248.72 4 4 0 2 216.62
Sulfadiazine -0.04 97.98 250.28 6 3 0 3 202.26

miLogP - partition coefficient; TPSA - total polar surface area; MW - molecular weight; nON - number of hydrogen bond acceptors; nOHNH - number of hydrogen bond donors; noV - number of violations; nrotb - number of rotatable bonds; MV - molecular volume.