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. 2015 Dec 22;21(1):3. doi: 10.3390/molecules21010003

Table 2.

Docking Results of the active compounds using Leadit 2.1.5 software (software license was purchased from BioSolveIT GmbH, Germany).

Compounds Affinity Score kcal/mol Lipophilic Contribution Score Clash Score Ligand Entropy Conformation Score
14e −24.85 −8.50 4.32 0.00
14c −24.23 −8.56 4.54 0.00
14a −24.10 −12.27 4.12 0.00
6a −23.50 −8.31 5.82 1.40
6c −23.23 −8.28 5.88 1.40
17 −22.68 −6.36 3.85 1.40
14d −22.23 −13.86 7.55 0.00
14f −21.66 −6.91 8.23 0.00
6b −20.46 −8.52 5.89 1.40
6d −20.27 −8.31 5.88 1.40
6e −20.25 −8.39 4.54 2.80
11 −18.80 −9.23 5.11 0.00