Skip to main content

Table 8 The projected ADMET characteristics for the identified hits

From: SMILES-based QSAR virtual screening to identify potential therapeutics for COVID-19 by targeting 3CLpro and RdRp viral proteins

Name

Bioavailability score

GI absorption

log Kp (cm/s)

logS

Mutagenic

Tumorigenic

Reproductive effective

Irritant

M1

0.55

High

− 7.84

− 4.12

None

None

None

None

M2

0.55

Low

− 7.03

− 5.87

None

None

None

None

M3

0.55

High

− 7.29

− 3.8

None

None

None

None

M4

0.55

High

− 6.92

− 4.89

None

None

Low

None

N1

0.55

High

− 6.37

− 4.7

None

None

None

None

N2

0.55

High

− 7.37

− 4.02

None

None

None

None

N3

0.55

High

− 7.94

− 3.48

None

None

None

None

N4

0.56

High

− 6.7

− 4.39

None

None

None

None

N5

0.55

High

− 7.01

− 4.1

None

High

High

None

N6

0.55

High

− 6.9

− 4.38

None

None

None

None

N7

0.55

High

− 6.06

− 5.6

None

None

None

None

N8

0.56

High

− 7.07

− 3.55

None

High

High

None

N9

0.56

High

− 6.54

− 4.46

None

None

None

None

N10

0.55

High

− 6.62

− 4.87

None

None

None

None

N11

0.55

High

− 6.48

− 4.83

None

None

None

None