Table 5 Bioavailability attributes and their acceptable reference ranges (RR) for oral drug-likeness.

1.

nRig (number of rigid bonds)

21

8

≤ 10

³⁴

2.

fChar (fraction of Sp3 character)

0

0

≥ 0.25

³⁵

3.

nHet (number of heteroatoms)

6

2

≤ 10

³⁶

4.

Max ring (maximum size of a ring structure)

6

6

5 to 6 atoms

³⁷

5.

nRing (number of ring structures)

1

1

1–4

³⁷

6.

nRot (number of rotatable bonds)

13

2

≤ 10

³⁴

7.

TPSA (topological polar surface area)

84.5

12.36

≤ 140 Ų

³⁸

8.

nHD (number of hydrogen donors)

2

0

≤ 5

³⁷

9.

nHA (number of hydrogen acceptors)

6

1

≤ 10

³⁷

10.

logD (distribution coefficient at physiological pH)

3.057

3.031

0 to 3

³⁹

11.

logS (aqueous solubility)

− 3.14

− 3.041

− 6 to 4

³⁹

12.

logP (partition coefficient between octanol and water)

2.953

2.966

− 0.4 to + 5.6

⁴⁰

13.

MW (molecular weight)

444.2

149.03

≤ 500 Da

⁴⁰