2D

Reference: indigo

Indicators

Lipinski
5/5

MwT [g/mol]

≤

500

180.16

logP

≤

5.0

1.01

HBD

≤

5

1

HBA

≤

5

4

Rot. Bonds

≤

5

3

Ghose
4/4

160

≤

MwT [g/mol]

≤

480

180.16

-0.4

≤

logP

≤

5.6

1.01

20

≤

Atoms

≤

70

21

40

≤

Mol. Refractivity

≤

130

44.71

Veber
2/2

TPSA

≤

140

63.6

Rot. Bonds

≤

10

3

Reos
5/7

200

≤

MwT [g/mol]

≤

500

180.16

-5.0

≤

logP

≤

5.0

1.01

0

≤

HBD

≤

5

1

0

≤

HBA

≤

10

4

0

≤

Rot. Bonds

≤

8

3

-2

≤

Formal Charge

≤

2

0

15

≤

Heavy Atoms

≤

50

13

Rule of 3
4/5

MwT [g/mol]

≤

300

180.16

logP

≤

3.0

1.01

HBD

≤

3

1

HBA

≤

3

4

Rot. Bonds

≤

3

3

Drug-Like
6/6

MwT [g/mol]

<

500

180.16

logP

<

5.0

1.01

HBD

≤

5

1

HBA

≤

10

4

Rot. Bonds

<

5

3

Rings

>

0

1
Reference: rdkit

Drug-Like Properties in ChEMBL

ChEMBL is a database of over 2.1 million bioactive molecules with drug-like properties.
Select a property and compare it to your compound!

References

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