Table 3.

Predicted Brain Penetration Potential of ClpP-agonists as Determined by CNS-MPO.

Name	ONC201		ONC206		TR-27		TR-57		TR-65		TR-107
Chemical structure
CNS-MPO Parameter	Actual	Score	Actual	Score	Actual	Score	Actual	Score	Actual	Score	Actual	Score
LOGP	3.05	0.97	2.83	1.00	4.10	0.45	3.06	0.97	2.32	1.00	3.13	0.93
LOGD	2.24	0.88	2.03	0.98	3.27	0.36	3.68	0.66	1.42	1.00	2.78	0.61
MW	386.50	0.81	408.45	0.65	434.97	0.46	420.90	0.57	421.93	0.56	390.87	0.78
TPSA	39.15	0.96	39.15	0.96	39.15	0.96	67.65	1.00	65.17	1.00	59.70	1.00
HBD	0	1.00	0.00	1.00	0.00	1.00	0.00	1.00	2.00	0.50	0.00	1.00
PKA	8.13	0.93	8.12	0.94	8.16	0.92	7.54	1.00	8.23	0.88	7.49	1.00
CNS-MPO Score	5.55/6		5.54/6		4.16/6		5.19/6		4.94/6		5.32/6