3.2.  Lipophilicity
Lipophilicity or fat friendliness of a molecule defines the dissolving capability in fat, oil or any non-polar solvent (Lindsley, 2010). The water n-octanol partition coefficient (log Po/w) is used as the measure of lipophilicity (Constantinescu et al., 2019). Various computational methods are developed for the estimation of log Po/w for diverse performance upon different chemical sets. The SwissADME provides five different predictive models such as XLOGP3 (Cheng et al., 2007), WLOGP (Wildman & Crippen, 1999), MLOGP (Moriguchi et al., 1992), SILICOS-IT (http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/filter-it/1.0.2/filter-it.html, 2016) and iLOGP (Daina et al., 2014) for better prediction accuracy.
Predicted lipophilicity (Log P) values of the spice molecules obtained from different calculation models are shown in Figure 1. All the molecules subjected to lipophilicity test lie in the range of +1.2 to +4.19 of consensus value that obeys the Lipinski’s limit of log p < 5, which suggests they can be used for further clinical trials (Arnott & Planey, 2012). The lowest lipophilicity is observed for Vanillin and the highest for Nerolidol, among the screened molecules. From Figure 1, it is found that all the ligand molecules have positive lipophilicity value. Hence, these molecules satisfy the essential criteria to be drug molecules.