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Table 5 ADMET properties of newly designed compounds

From: QSAR modeling, molecular docking, dynamic simulation and ADMET study of novel tetrahydronaphthalene derivatives as potent antitubercular agents

S.No.

Compound code

Mol weight

Log P

HBD

HBA

Lipinski rule

Hepatotoxicity

Carcinogenicity

1

THN_RD1

471.61

4.63

1

3

Nil

inactive

inactive

2

THN_RD2

483.64

4.68

1

3

Nil

inactive

inactive

3

THN_RD3

459.56

4.57

1

4

Nil

active

inactive

4

THN_RD4

459.56

4.41

1

4

Nil

inactive

inactive

5

THN_RD5

459.56

4.31

1

4

Nil

inactive

inactive

6

THN_RD6

471.59

4.26

2

4

Nil

active

inactive

7

THN_RD7

492.01

4.24

2

4

Nil

active

inactive

8

THN_RD8

465.98

4.41

1

5

Nil

active

inactive

9

THN_RD9

489.63

4.16

1

4

Nil

inactive

inactive

10

THN_RD10

458.57

3.93

1

4

Nil

inactive

inactive