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. 2022 Dec 6;7(50):47096–47107. doi: 10.1021/acsomega.2c06245

Table 4. ADME Properties of Compounds 9ai.

Compd MW (Da) No. of H-bond acceptors No. of H-bond donors MR cm3 TPSA (Å) iLOGP GI absorption Pgp substrate CYP3A4 inhibitor Bio availability score
9a 433.45 6 0 116.95 40.58 3.54 High Yes Yes 0.55
9b 512.34 6 0 124.65 40.58 4.03 Low Yes Yes 0.17
9c 467.89 6 0 121.96 40.58 3.94 Low Yes Yes 0.55
9d 447.47 6 0 121.92 40.58 3.81 Low Yes Yes 0.55
9e 458.46 7 0 121.67 64.37 3.26 High Yes Yes 0.55
9f 458.46 7 0 121.67 64.37 3.72 High Yes Yes 0.55
9g 458.46 7 0 121.67 64.37 3.65 High Yes Yes 0.55
9h 469.43 8 0 116.87 40.58 3.64 Low Yes Yes 0.55
9i 452.43 8 0 114.71 53.47 3.46 High Yes Yes 0.55