Table 2.
Drug-likeness properties of the compound 5 calculated with SwissADME [36].
| Lipinski # violations1 | Ghose # violations2 | Veber # violations3 | Egan # violations4 | Muegge # violations5 | Bioavailability Score6 |
|---|---|---|---|---|---|
| 0 | 0 | 0 | 0 | 0 | 0.55 |
1
Lipinski (Pfizer) filter [29]: MW ≤ 500; MLOGP ≤ 4.15; N or O ≤ 10; NH or OH ≤ 5.
2
Ghose filter [30]: 160 ≤ MW ≤ 480; −0.4 ≤ WLOGP ≤ 5.6; 40 ≤ MR ≤ 130; 20 ≤ atoms ≤ 70.
3
Veber (GSK) filter [31]: Rotatable bonds ≤ 10; TPSA ≤ 140.
4
Egan (Pharmacia) filter [32]: WLOGP ≤ 5.88; TPSA ≤ 131.6.
5
Muegge (Bayer) filter [33]: 200 ≤ MW ≤ 600; −2 ≤ XLOGP ≤ 5; TPSA ≤ 150; Number of rings ≤7; Number of carbon atoms >4; Number of heteroatoms >1; Number of rotatable bonds ≤15.
6
Abbott Bioavailability Score [40].