Drug Likeness Properties

Memantine

Hymenialdisine

Tideglusib

Kenpaullone

Dihydrospiro [dibenzo[a,d][7] annulene-5,4'- imidazol]

Harmine

Harmol

1-Methyl-4- Phenylpyridinium

Molecular weight

179.30 g/mol

324.13 g/mol

334.39 g/mol

327.18 g/mol

400.27 g/mol

212.25 g/mol

198.22 g/mol

170.23 g/mol

Concensus Log P_o/w

2.85

0.26

3.53

3.27

2.75

2.78

1.86

0.52

Log S

−3.02

−1.94

−5.09

−4.47

−4.47

−4.05

−2.18

0.47

Num. H-bond acceptors

1

3

2

1

3

2

1

0

Num. H-bond donors

1

4

0

2

1

1

2

0

Molar

Refractivity

55.68

82.32

97.43

86.73

106.82

65.06

61.39

55.47

Lipinski

Yes

Yes

Yes

Yes

Yes

Yes

Yes

Yes

Ghose

Yes

No (1 violation)

Yes

Yes

Yes

Yes

Yes

Yes

Veber

Yes

Yes

Yes

Yes

Yes

Yes

Yes

Yes

Egan

Yes

Yes

Yes

Yes

Yes

Yes

Yes

Yes

Muegge

No (2 violations)

Yes

Yes

Yes

Yes

Yes

No (1 violation)

No (3 violations)

Bioavailability score

0.55

0.55

0.55

0.55

0.55

0.55

0.55

0.55

Log K_p (skin permeation)

−5.06 cm/s

−8.39 cm/s

−5.27 cm/s

−5.99 cm/s

−6.65 cm/s

−4.94 cm/s

−6.98 cm/s

−9.57 cm/s

Synthetic accessibility

3.70

3.14

3.16

2.71

4.37

1.66

1.71

1.27

TSPA (Ų)

26.02

112.37

72.24

44.89

67.92

37.91

48.65

3.88

No of rotatable bonds

0

0

3

0

1

1

0

1

Druglikeness score

−0.8

0.39

2.98

1.08

1.34

0.35

2.63

-

Drug-Score

0.6

0.73

0.15

0.33

0.63

0.56

0.91

-

Solubility

−2.94

−2.37

−7.1

−5.14

−4.32

−3.23

−2.42

-

Reproductive effective

No

No

No

Yes (high-risk)

No

No

No

-

Irritant

No

No

No

No

No

No

No

-

Tumorigenic

No

No

Yes (high-risk)

No

No

No

No

-

Mutagenic

No

No

Yes (high-risk)

No

No

Yes (medium-risk)

No

-