Table 1.

Predicted data of water solubility, pharmacokinetics, drug likeness and medicinal chemistry of the designed compound 2a-i

	2a	2b	2c	2d	2e	2f	2g	2h	2i
ESOL log S	− 3.83	− 3.89	− 4.41	− 4.73	− 3.92	− 3.19	− 4.85	− 4.1	− 4.29
Ali log S	− 3.56	− 3.73	− 4.21	− 4.29	− 3.76	− 2.90	− 5.11	− 4.01	− 4.23
Silicos-IT log Sw	− 5.41	− 5.53	− 6.02	− 6.24	− 5.15	− 4.62	− 6.38	− 5.8	− 5.5
GI absorption	High	High	High	High	High	High	High	High	High
BBB permanent	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes
Pgp substrate	No	No	No	No	No	No	No	No	No
log Kp (cm/s)	− 5.38	− 5.57	− 5.14	− 5.36	− 5.77	− 5.95	− 4.85	− 5.16	− 5.07
Bioavailability score	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
Synthetic accessibility	2.74	2.87	2.73	2.76	3.00	2.77	3.17	2.55	3.05