Table 1.
Physicochemical descriptors and ADME properties of tested compounds calculated by SwissADME.
| Code | MW a | Log P b | H-Bond Donors | H-Bond Acceptors | tPSA c (Å2) |
Rotatable Bonds | GI Absorption | BBB Permeant | Rule of Five d |
|---|---|---|---|---|---|---|---|---|---|
| 3a | 130.15 | 1.47 | 0 | 2 | 25.78 | 0 | High | Yes | Yes |
| 3b | 206.24 | 3.02 | 0 | 2 | 25.78 | 1 | High | Yes | Yes |
| 3c | 158.20 | 2.09 | 0 | 2 | 25.78 | 0 | High | Yes | Yes |
| 4a | 164.59 | 2.06 | 0 | 2 | 25.78 | 0 | High | Yes | Yes |
| 4b | 240.69 | 3.54 | 0 | 2 | 25.78 | 1 | High | Yes | Yes |
| 4c | 192.64 | 2.79 | 0 | 2 | 25.78 | 0 | High | Yes | Yes |
| 5a | 175.14 | 0.88 | 0 | 4 | 71.60 | 1 | High | Yes | Yes |
| 5b | 251.24 | 2.36 | 0 | 4 | 71.60 | 2 | High | Yes | Yes |
| 5c | 203.20 | 1.45 | 0 | 4 | 71.60 | 1 | High | Yes | Yes |
| 6a | 145.16 | 0.95 | 1 | 2 | 51.80 | 0 | High | Yes | Yes |
| 6b | 221.26 | 2.44 | 1 | 2 | 51.80 | 1 | High | Yes | Yes |
| 6c | 173.21 | 1.66 | 1 | 2 | 51.80 | 0 | High | Yes | Yes |
| Tacrine | 198.26 | 2.69 | 1 | 1 | 38.91 | 0 | High | Yes | Yes |
| Galanthamine | 287.35 | 1.92 | 1 | 4 | 41.93 | 1 | High | Yes | Yes |
a MW: molecular weight, b log P: Predicted octanol/water partition coefcient log P, c tPSA: topological polar surface area, d Rule of five: Number of violations of Lipinski’s rule of five. The selection criteria are as followed: MW < 500, log P < 5, H-Bond donors < 5 and H-Bond acceptors < 10.