. Author manuscript; available in PMC: 2016 Mar 17.

Published in final edited form as: ACS Comb Sci. 2012 Apr 2;14(4):285–293. doi: 10.1021/co300003c

Table 6.

Average values of Molecular Properties

property	oxindole cores (n = 15)	isatin triazoles (n = 9)	oxindole triazoles (n = 40)
MW	399	353	551
XLogP^a	3	2	3
TPSA^b	67	81	109
rotatable bonds	4	4	8
HBA	3	4	5
HBD	1	0	1
# of rings	2	3	4

XLogP is used for the calculated partition coefficients (cLogP) values based on the method of Wang, see ref 25.

Topological Polar Surface Area (TPSA) based on the method of Ertl, see ref 28.