3.6. In-Silico Bioavailability Predictions

ST Shailee V. Tiwari
NS Nawaz S. Sharif
RG Rekha I. Gajare
JV Julio A. Seijas Vazquez
JS Jaiprakash N. Sangshetti
MD Manoj D. Damale
AN Anna Pratima G. Nikalje
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The bioavailability properties were predicted and it was seen that the compounds displayed an admirable % ABS (66.82–76.98%, shown in Table 5). Absorption (% ABS) was calculated by: % ABS = 109−(0.345 X TPSA). In the current research study, molecular volume (MV), molecular weight (MW), logarithm of partition coefficient (miLog P), number of hydrogen bond acceptors (n-ON), number of hydrogen bonds donors (n-OHNH), topological polar surface area (TPSA), number of rotatable bonds (n-ROTB), number of rigid bonds (Rig Bond), Rings, ratio H/C and Lipinski’s rule of five were calculated using FAF Drugs 2. None of the synthesized compounds violated the Lipinski’s rule of five or its variants. All the synthesized compounds 4(an) were found to be non-toxic, as predicted by using FAF Drugs 2.

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