Table 1.

Physico-chemical properties, ADME properties, and ECCS predictions of dominant clearance mechanism

Compound	MW g/mol	Log Pa	Ionizationa	MDCK Permeability cm/s × 10−7 a	ECCS Class b	Rbp c	PPB% c	Fup% c	Renal Clearance (l/h) d
OMC	290.4	5.7	Neutral	1369.9	Class 2 metabolism	0.73	99.96	0.04	0.003
Octocrylene	361.5	6.17	Neutral	1439.6	Class 2 metabolism	0.73	99.86	0.14	0.01
4-MBC	254.4	4.63	Neutral	801.6	Class 2 metabolism	0.88	99.96	0.04	0.003

^aPredicted using ADMET predictor 10.2 using the SMILES code for each structure as input.

^bThe ECCS (extended clearance classification system) class as determined by the criteria in Varma et al. (2015).

^cMeasured data.

^dCalculated by GFR * Fup.