Table 7.
Pharmacokinetic properties of selected five therapeutic compounds.
| PubChem ID | CID 2520 | CID 3955 | CID 5452 | CID 2726 | CID 24199313 | |
|---|---|---|---|---|---|---|
| Physiochemical properties | Molecular weight (g/mo) | 454.60 | 477.04 | 370.57 | 318.86 | 678.48 |
| Heavy atoms | 33 | 34 | 25 | 21 | 32 | |
| Arom. heavy atoms | 12 | 18 | 12 | 12 | 0 | |
| Rotatable bond | 13 | 8 | 4 | 4 | 12 | |
| H-bond acceptor | 6 | 3 | 1 | 1 | 9 | |
| H-bond donor | 0 | 1 | 0 | 0 | 0 | |
| Lipophilicity | Log Po/w | 4.50 | 4.06 | 4.03 | 3.47 | 0.00 |
| Water solubility | Log S (ESOL) | −4.46 | −5.82 | −5.95 | −5.25 | −4.55 |
| Pharmacokinetics | GI absorption | High | High | High | High | High |
| Drug likeliness | Lipinski | Yes | Yes | Yes | Yes | Yes |
| Medical chemistry | Synthetic accessibility | Easy | Easy | Easy | Easy | Easy |