Table 8.
Drug-likeness properties of Azafluorene derivatives.
| Drug-likeness Properties | Compound – I | Compound - II |
|---|---|---|
| Physicochemical properties | ||
| Molecular weight (g/mol) | 383.44 | 413.47 |
| Number of Hydrogen bond donors | 1 | 1 |
| Number of Hydrogen bond acceptors | 2 | 3 |
| Molar refractivity | 120.13 | 126.62 |
| TPSA (Topological Polar Surface Area) | 52.47 Å2 | 61.7 Å2 |
| Lipophilicity | ||
| Log PO/W (iLogP) | 3.2 | 3.43 |
| Log PO/W (XLogP3) | 5.65 | 5.62 |
| Log PO/W (WLogP) | 6.34 | 6.35 |
| Log PO/W (MLogP) | 3.68 | 3.29 |
| Log PO/W (SILICOS-IT) | 7.03 | 7.07 |
| Consensus Log PO/W | 5.18 | 5.15 |
| Solubility | ||
| Log S (SILICOS-IT) | −10.76 | −10.86 |
| SILICOS-IT solubility (mg/ml) | 6.74E-09 | 5.73E-09 |
| SILICOS-IT solubility (mol/l) | 1.76E-11 | 1.39E-11 |
| Solubility class | Insoluble | Insoluble |
| Pharmacokinetics | ||
| Druglikeness | −3.19 | −2.81 |
| Drug-score | 0.15 | 0.15 |
| Blood-Brain-Barrier permeant | No | No |
| Gastrointestinal absorption | Yes | Yes |
| Caco-2 permeant | No | No |
| P-glycoprotein substrate | No | No |
| CYP450 1A2 inhibitor | Yes | Yes |
| CYP450 2C9 inhibitor | Yes | Yes |
| CYP450 2D6 inhibitor | No | Yes |
| CYP450 2C19 inhibitor | Yes | Yes |
| CYP450 3A4 inhibitor | No | No |
| CYP Inhibitory Promiscuity | Yes | Yes |
| Toxicity | ||
| Carcinogens | No | No |
| Biodegradation | No | No |
| Acute Oral Toxicity (kg/mol) | III, 2.317 | III, 2.394 |
| Mutagenicity | No | No |
| Tumorigenicity | No | No |
| Irritating effects | No | No |
| Reproductive effects | No | No |