Compounds

ALA5282296

Name:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(1-methylpiperidin-Show More⌵

Mol. Formula:
C16H23N7O4

M.W.:
377.41

Type:
---

AlogP:
-1.76

Polar Surface Area:
151.65

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281978

Name:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(piperidin-4-ylmethShow More⌵

Mol. Formula:
C16H23N7O4

M.W.:
377.41

Type:
---

AlogP:
-1.86

Polar Surface Area:
160.44

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5281651

Name:
N-(3-((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-Show More⌵

Mol. Formula:
C19H22N8O5

M.W.:
442.44

Type:
---

AlogP:
-1.64

Polar Surface Area:
190.40

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5279050

Name:
(R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4Show More⌵

Mol. Formula:
C32H42N6O3

M.W.:
558.73

Type:
---

AlogP:
4.18

Polar Surface Area:
113.85

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5276433

Name:
1-((6-amino-9H-purin-9-yl)methyl)-4-(methylamino)cyclohexane-1,2-diol

Mol. Formula:
C13H20N6O2

M.W.:
292.34

Type:
---

AlogP:
-0.73

Polar Surface Area:
122.11

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5291234

Name:
N-((6-(((cyclohexylmethyl)amino)methyl)imidazo[1,2-a]pyridin-2-yl)methyl)-4Show More⌵

Mol. Formula:
C25H28N6O2

M.W.:
444.54

Type:
---

AlogP:
2.94

Polar Surface Area:
92.80

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5288865

Name:
4-oxo-N-(4-(2-oxopyrrolidin-1-yl)benzyl)-4H-chromene-2-carboxamide

Mol. Formula:
C21H18N2O4

M.W.:
362.39

Type:
---

AlogP:
2.85

Polar Surface Area:
79.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5286336

Name:
(2R,3S,4S,5R)-5-amino-2-((6-amino-9H-purin-9-yl)methyl)tetrahydro-2H-pyran-Show More⌵

Mol. Formula:
C11H16N6O3

M.W.:
280.29

Type:
---

AlogP:
-2.14

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5286034

Name:
(S)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4Show More⌵

Mol. Formula:
C32H42N6O3

M.W.:
558.73

Type:
---

AlogP:
4.18

Polar Surface Area:
113.85

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270921

Name:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(4-(pyrrolidin-1-ylShow More⌵

Mol. Formula:
C18H27N7O4

M.W.:
405.46

Type:
---

AlogP:
-0.98

Polar Surface Area:
151.65

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5094929

Name:
4-(((4-((4,4-Dimethylpiperidin-1-yl)methyl)phenyl)amino)-methyl)-1-(6-(methShow More⌵

Mol. Formula:
C25H38N6O

M.W.:
438.62

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
76.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5094753

Name:
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-Show More⌵

Mol. Formula:
C25H25FN8O3

M.W.:
504.53

6 activity values

4 unique targets

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
138.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5094644

Name:
(1R,2S,3R,5S)-3-[4-amino-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-Show More⌵

Mol. Formula:
C26H28N8O2

M.W.:
484.56

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
153.92

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5094620

Name:
[2-amino-4-[[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoroShow More⌵

Mol. Formula:
C22H26FN7O4

M.W.:
471.49

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.32

Polar Surface Area:
153.78

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5094610

Name:
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidin-7Show More⌵

Mol. Formula:
C26H27FN8O3

M.W.:
518.55

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
138.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5094481

Name:
[2-amino-4-[[(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-dShow More⌵

Mol. Formula:
C26H30FN9O4

M.W.:
551.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
171.60

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5094398

Name:
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-Show More⌵

Mol. Formula:
C26H27FN8O3

M.W.:
518.55

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
138.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5094336

Name:
(2R,3R,4S,5R)-2-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[(2-pyrrolShow More⌵

Mol. Formula:
C24H25BrN6O4

M.W.:
541.41

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
131.78

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5094227

Name:
(1R,2S,3R,5S)-3-(4-amino-5-cyclopentyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[Show More⌵

Mol. Formula:
C28H34N6O2

M.W.:
486.62

6 activity values

4 unique targets

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
122.11

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5094222

Name:
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-Show More⌵

Mol. Formula:
C28H29FN8O3

M.W.:
544.59

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
138.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS