In vivo and in vitro pharmacological activities of Tacca integrifolia rhizome and investigation of possible lead compounds against breast cancer through in silico approaches

Clinical Phytoscience

International Journal of Phytomedicine and Phytotherapy

Table 8 ADME and drug likeness properties of betulinic acid, quercetin-3-α-arabinoside and catsanogenin by QikProp

Compound name	MW^a	HB donor^b	HB acceptor^c	SASA^d	QPlogPo/w^e	QPlogBB^f	QPlogS^g	%Human Oral Absorption^h
Betulinic acid	456.707	2	3.7	683.818	6.2	−0.403	−6.712	95.647
Catsanogenin	502.69	3	6.4	724.914	5.103	−1.585	−6.276	45.093
Quercetin-3-α-arabinoside	434.356	6	12.05	631.252	−0.807	−2.669	−4.134	13.443

^aMolecular weight (acceptable range: < 500). ^bHydrogen bond donor (acceptable range: ≤5). ^cHydrogen bond acceptor (acceptable range: ≤10). ^dTotal Solvent Accessible Surface Area in using a probe with a 1.4 radius (acceptable range: 300–1000). ^ePredicted octanol/water partition coefficient (acceptable range: − 2–6.5). ^fPredicted blood-brain partition co-efficient (acceptable range: −3-1.2). ^gPredicted aqueous solubility, S in mol/dm^− 3 (acceptable range: −6.5–0.5). ^hPredicted human oral absorption on 0 to 100% scale (< 25% is poor and > 80% is high)