Table 1.

In silico ADME calculations for JJC8–091^a

Parameter	Value	T0b
ClogP	1.49	1
ClogD	2.32	0.84
TPSA	43.78	1
MW	422.53	0.55
HBD	1	0.83
PKa	6.89	1

CNS MPO = 5.22

^aClogP, TPSA, and MW values were calculated using ChemDraw. ClogD and PKa values were calculated using Chemicalize.

^bT0 was calculated using the method published in (Wager et al., 2010b).