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Table 3 The drug-likeness for molecule 1, designed molecules (1a1c), and Sofosbuvir as reference inhibitor (R)

From: In silico design and pharmacokinetics investigation of some novel hepatitis C virus NS5B inhibitors: pharmacoinformatics approach

CID M W (g/mol) HA HD Log p TPSA (Å2) Lipinski #violations Bioavailability score Synthetic accessibility
Lipinski’s rules of 5: M W (g/mol) < 500; HA ≤ 10; HD ≤ 5; Log p ≤ 5; and TPSA (Å2) < 140
 1 299.24 7 5 0.14 179.74 1 0.17 3.76
 1a 297.27 8 6  − 0.35 159.51 2 0.55 4.00
 1b 298.26 8 6  − 0.91 185.53 2 0.17 3.99
 1c 327.25 9 6  − 0.74 196.81 2 0.11 4.04
 R 529.45 11 3 3.31 167.99 2 0.17 6.02