Table 4.

Prediction ADMET properties for examined pleuromutilin derivatives.

Comp.	ADMET Parameter						pKa		c Log p
	Peff (cm/s) a	Log BB b	Log PS c	PPB (%) d	Vd (L/kg) e	LD50 (mg/kg) f	Acid	Base
5a	6.39 × 10−4	0.29	−1.7	99.27	4.15	1400	10.40	-	6.29
5b	6.39 × 10−4	0.29	−1.7	99.27	4.15	1400	10.40	-	6.29
5c	6.39 × 10−4	0.29	−1.7	99.27	4.15	1400	10.40	-	6.29
6a	5.12 × 10−4	0.02	−2.3	97.14	3.15	730	10.30	7.70	3.88
6b	5.12 × 10−4	0.02	−2.3	97.14	3.15	730	10.30	7.70	3.88
6c	5.41 × 10−4	0.2	−2.4	98.44	1.60	970	7.80	11.80	4.64
6d	5.41 × 10−4	0.2	−2.4	98.44	1.60	970	7.80	11.80	4.64

^a Jejunal permeability coefficients at pH 6.5 that depends on paracellular and transcellural transport routes and unstirred water layer resistance; ^b Extent of brain penetration determined by ratio of total drug concentrations in tissue and plasma at steady-state conditions; ^c Rate of brain penetration. PS stands for Permeability-Surface area product and is defined from the kinetic equation of capillary transport; ^d The cumulative percentage of a compound bound to human plasma proteins, such as albumin, alpha₁-acid glycoprotein and others (RI ≥ 0.30); ^e Prediction (probably 90%) of Volume of Distribution (Vd) regarding the effect of physicochemical properties (Log p and ionization) on drug distribution in the body; ^f Acute toxicity (LD₅₀) for mouse after oral administration (RI ≥ 0.46).