Table 4 ADME predictions of the synthesized compounds.

From: Investigation, scaffold hopping of novel donepezil-based compounds as anti-Alzhiemer’s agents: synthesis, in-silico and pharmacological evaluations

Title

CNS

MW

donorHB

accptHB

QPlogPo/w

QPlogHERG

% human oral absorption

PSA

8

1

491.576

1

11

2.219

− 5.157

77.629

97.032

9

1

509.567

1

11

2.374

− 5.152

65.904

97.204

10

2

396.916

0

4.5

5.365

− 6.949

100

30.328

15

2

410.942

0

4.5

5.7

− 7.073

100

31.081

16

2

424.969

0

4.5

6.108

− 7.322

100

32.069

17

2

468.594

0

5.25

6.574

− 7.89

100

38.646

18

2

506.567

0

4.5

7.523

− 7.944

100

30.388

19

1

363.458

2

7

2.324

− 5.526

80.06

81.691

  1. ADME absorption, distribution, metabolism, excretion; accptHB hydrogen-bond acceptor; CNS central nervous system; donorHB hydrogen-bond donor; MW molecular weight; PSA polar surface area; QPlogPo/w predicted octanol/water partition coefficient.
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