Antimicrobial Potential of Pithecellobium dulce Seed Extract against Pathogenic Bacteria: In Silico and In Vitro Evaluation

Table 4

Pharmacokinetics properties of the selected compounds of the extract.

Compounds	D-turanose	Inositol	Hexadecanoic acid	Indole-1-acetic acid
Physicochemical properties/lipophilicity/drug-likeness
Molecular weight (g/mol)	342.30	180.16	256.42	175.18
Num. heavy atoms	23	12	18	13
Num. arom. heavy atoms	0	0	0	9
Fraction Csp3	1.00	1.00	0.94	0.10
Num. rotatable bonds	4	0	14	2
Num. H-bond acceptors	11	6	2	2
Num. H-bond donors	8	6	1	1
Molar refractivity	68.16	35.81	80.80	49.78
TPSA	189	121.38	37.30	42.23
Lipinski’s rule	No	Yes	Yes	Yes
Bioavailability score	0.17	0.55	0.85	0.85
Bioavailability
GI absorption	Low	Low	High	High
BBB permeability	No	No	Yes	Yes
P-gp substrate	Yes	Yes	No	No
CYP1A2 inhibitor	No	No	Yes	Yes
CYP2C19 inhibitor	No	No	No	No
CYP2C9 inhibitor	No	No	Yes	No
CYP2D6 inhibitor	No	No	No	No
CYP3A4 inhibitor	No	No	No	No
LogKp (cm/s)	-11.92	-10.03	-2.77	-5.62