Carnosic Acid, a Natural Diterpene, Attenuates Arsenic-Induced Hepatotoxicity via Reducing Oxidative Stress, MAPK Activation, and Apoptotic Cell Death Pathway

Table 3

Prediction of drug-likeness and ADME profiles of CA.

Sl. number	Descriptors	Predicted values for CA	Recommended values (based on properties of 95% of known drugs)
1.	Molecular weight	332.4	130.0 to 725.0
2.	SASA	575.8	300.0 to 1000.0
3.	WPSA	0.0	0.0 to 175.0
4.	H-bond donor	3.0	0.0 to 6.0
5.	H-bond acceptor	3.5	2.0 to 20.0
6.	glob	0.8	0.75 to 0.95
7.	QPlogPo/w	3.7	−2.0 to 6.5
8.	QPlogS	−4.4	−6.5 to 0.5
9.	QPlogHERG	−1.9	Concern below −5
10.	QPPCaco	182.7	25 poor; >500 great
11.	QPlogBB	−0.7	−3.0 to 1.2
12.	QPPMDCK	100.2	<25 poor, >500 great
13.	QPlogKp	−3.2	−8.0 to −1.0
14.	#metab	4.0	1.0 to 8.0
15.	QPlogKhsa	0.3	−1.5 to 1.5
16.	% of human oral absorption	89.3	>80% is high; <25% is poor

SASA: total solvent accessible surface area; WPSA: weakly polar component of the SASA; glob: globularity descriptor; QPlogPo/w: predicted octanol/water partition coefficient; QPlogS: predicted aqueous solubility; QPlogHERG: predicted IC₅₀ value for blockage of HERG K+ channels; QPPCaco: predicted apparent Caco-2 cell permeability; QPlogBB: predicted brain/blood partition coefficient; QPPMDCK: predicted apparent MDCK cell permeability in nm/sec; QPlogKp: predicted skin permeability; #metab: number of likely metabolic reactions; QPlogKhsa: prediction of binding to human serum albumin.