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Table 6 In silico drug-likeness predictions of isolated compounds computed by SwissADME

From: Antibacterial and antioxidant activities of extracts and isolated compounds from the roots extract of Cucumis prophetarum and in silico study on DNA gyrase and human peroxiredoxin 5

Compounds Formula Mol. Wt. (g/mol) NHD NHA NRB TPSA (A°2) LogP iLogP) Lipinski’s rule of Five Violation
1 C46H66O6 715.01 1 6 10 105.58 5.19 Yes
2 C22H30O4 358.47 1 4 0 71.44 2.4 0
3 C14H28O2 228.37 1 2 12 37.3 3.32 0
4 C29H48O 412.69 1 1 6 20.23 5.1 Yes
5 C29H48O 412.69 1 1 5 20.23 4.79 0
Ciprofloxacin 401.45 2 9 5 136.13 0.963 0
  1. NHD: Number of Hydrogen donor; NHA: Number of Hydrogen acceptor; NRB: Number of rotatable bonds; TPSA: total polar surface area