Schiff Bases of Isatin and Adamantane-1-Carbohydrazide: Synthesis, Characterization and Anticonvulsant Activity

Table 1

Drug-like properties and docking energies of compounds 18–23.

Compound	CLogP	MW^a	TPSA^b	HBA^c	HBD^d	Nrotb^e	Docking energies (kcal/mol)
Phenobarbitone	1.41	232.24	75.27	2	3	2	−5.903
18	3.445	323.39	70.56	3	2	3	−7.629
19	4.308	402	70.57	3	2	3	−7.991
20	4.158	357.8	70.56	3	2	3	−7.902
21	3.958	353	82	4	2	4	−8.357
22	4.461	432	82	4	2	4	−8.662
23	6.952	492.4	61.77	3	1	5	−7.875

^aMolecular weight; ^btopological polar surface area; ^chydrogen bond acceptor; ^dhydrogen bond donor; ^enumber of rotatable bonds.