Table 3.
Drug likeness parameters and derived for 3, 5, 6, 9, and 11 ligands.
Cpd. | 3 | 5 | 6 | 9 | 11 |
---|---|---|---|---|---|
HBD | 1 | 2 | 4 | 3 | 2 |
HBA | 8 | 9 | 8 | 7 | 8 |
Log.P | 2.83 | 3.21 | 2.25 | 2.42 | 2.74 |
Log.S | −5.53 | −6.13 | −5.73 | −4.26 | −5.11 |
V | 0 | 0 | 0 | 0 | 0 |
TPSA | 105.5 | 132.48 | 157.05 | 112.93 | 116.5 |
%ABS | 72.6 | 73.83 | 66.7 | 70.03 | 68.8 |
Mutagenic | none | none | none | low | none |
Tumorigenic | none | none | none | high | none |
Reproductive Effective | none | none | none | high | none |
Irritant | none | none | none | high | none |