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. 2018 Jan 26;33(1):405–415. doi: 10.1080/14756366.2018.1426573

Table 4.

Pharmacokinetics of the new derivatives.

S/N MW log P HBA HBD TPSA AMR nRB nA nAc ABS % LNV RNV
17a 497 0.648 7 0 160.7 134.93 9 34 0 53.8 0 1
17b 586 2.423 7 0 160.7 168.29 11 41 0 53.8 1 2
17c 625 2.03 8 0 160.7 180.15 11 44 0 53.8 1 2
17d 552 2.609 7 0 160.7 152.41 11 38 0 53.8 1 2
17e 552 2.398 7 0 160.7 151.03 11 38 0 53.8 1 2
17f 538 1.829 7 0 160.7 147.96 10 37 0 53.8 1 2
17g 449 –0.62 7 0 143.63 112.6 6 30 0 59.45 0 0
17h 432 0.406 6 0 143.63 109.55 6 29 0 59.45 0 0
17i 417 –0.24 7 0 100.49 113.66 5 28 0 74.33 0 0
17j 401 0.792 6 0 100.49 110.61 5 27 0 74.33 0 0
17k 403 –0.63 7 0 100.49 109.38 5 27 0 74.33 0 0
17l 387 0.40 6 0 100.49 106.33 5 26 0 74.33 0 0

MW: molecular weight; HBA: hydrogen bond acceptor; HBD: hydrogen bond donor; TPSA: total polar surface area; nRB: number of rotatable bond; nAc: number of acid; AMR: molar refractivity; nA: number of atoms; LNV: Lipinski’s number of violations; RNV: Reckitt’s number of violation.