Research Article
Virtual Screening of Acetylcholinesterase Inhibitors Using the Lipinski’s Rule of Five and ZINC Databank
Table 2
The seven compounds obtained by molecular docking screening and their features.
| Compound (ZINC cod) | Structure | Molecular weight* (g⋅mol−1) | H-bond donor* | H-bond acceptor* | | Rotatable bonds* |
| A (1249551) | | 482.6 | 1 | 5 | 1.1 | 7 | B (1280061) | | 478.6 | 0 | 5 | 2.42 | 4 | C (1771471) | | 422.6 | 1 | 2 | 2.24 | 5 | D (2417539) | | 466.5 | 1 | 8 | 1.73 | 5 | E (4311794) | | 300.4 | 0 | 1 | 1.03 | 1 | F (4372347) | | 424.6 | 0 | 4 | 1.73 | 2 | G (4937122) | | 398.5 | 0 | 4 | 1.12 | 1 |
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Data from ZINC databank.
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