. Author manuscript; available in PMC: 2017 Jun 30.

Published in final edited form as: Tetrahedron. 2016 Jun 30;72(26):3766–3774. doi: 10.1016/j.tet.2016.03.016

Table 1.

Bioavailability properties and Fsp³ analysis

	Drugs	NPs	Commercial	Alkaloid NPs	Scaffolds	Library Cmpds
m/w	361	629	414	319	253	396
XlogP	2.7	1.5	2.4	2.0	2.5	4.5
HBD	1.5	4.9	1.5	1.3	1.0	0.0
HBA	5.4	10.8	6.8	4.4	2.3	3.1

% Pass Lipinski (4/4)	85	42	95	90	100	59
% Pass Lipinski (3/4)	98	53	100	100	100	100

RotB	6.3	9.7	5.7	2.8	1.5	4.2
tPSA	68.9	183.2	98.3	53.7	31.4	43.0

% Pass Veber (2/2)	88	33	95	95	100	99
Fsp3	0.41	0.64	0.23	0.65	0.78	0.60