Compounds

3 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
73.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2386107

Name:
3-(Benzofuran-3-yl)-4-(5-bromo-1-(2-methoxyethyl)-1Hpyrrolo[2,3-b]pyridin-3Show More⌵

Mol. Formula:
C22H16BrN3O4

M.W.:
466.29

3 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
86.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2386106

Name:
3-(Benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-pyrrolo[2,3-b]-pyridin-3-yl)-1H-Show More⌵

Mol. Formula:
C20H12BrN3O3

M.W.:
422.24

3 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
77.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2182002

Name:
3-Amino-6-{2-methyl-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-pyridin-3Show More⌵

Mol. Formula:
C22H25N7O3S

M.W.:
467.56

8 activity values

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
134.41

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2177173

Name:
3-Amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-[4-(pyrrolidin-1-yShow More⌵

Mol. Formula:
C26H32N8O3S

M.W.:
536.66

10 activity values

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
137.65

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2177167

Name:
3-Amino-6-(4-{[2-(dimethylamino)ethyl](ethyl)sulfamoyl}phenyl)-N-(pyridin-3Show More⌵

Mol. Formula:
C22H27N7O3S

M.W.:
469.57

8 activity values

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
134.41

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2177166

Name:
3-Amino-6-[4-({[2-(dimethylamino)ethyl]amino}sulfonyl)phenyl]-N-pyridin-3-yShow More⌵

Mol. Formula:
C20H23N7O3S

M.W.:
441.52

7 activity values

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
143.20

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2177165

Name:
3-Amino-6-[4-(morpholin-4-ylsulfonyl)phenyl]-N-(pyridin-3-yl)pyrazine-2-carShow More⌵

Mol. Formula:
C20H20N6O4S

M.W.:
440.49

9 activity values

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
140.40

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2177163

Name:
3-Amino-6-[4-(piperidin-1-ylsulfonyl)phenyl]-N-(pyridin-3-yl)pyrazine-2-carShow More⌵

Mol. Formula:
C21H22N6O3S

M.W.:
438.51

5 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
131.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2177162

Name:
3-Amino-N-(pyridin-3-yl)-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-caShow More⌵

Mol. Formula:
C20H20N6O3S

M.W.:
424.49

6 activity values

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
131.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

AZD2858

Name:
3-Amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-pyridin-3-ylpyraziShow More⌵

Mol. Formula:
C21H23N7O3S

M.W.:
453.53

29 activity values

11 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
134.41

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2177159

Name:
3-Amino-6-[4-[[(2-methoxyethyl)amino]sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazShow More⌵

Mol. Formula:
C19H20N6O4S

M.W.:
428.47

9 activity values

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
149.19

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2177157

Name:
3-Amino-6-{3-fluoro-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-pyridin-3Show More⌵

Mol. Formula:
C21H22FN7O3S

M.W.:
471.52

10 activity values

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
134.41

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2177155

Name:
3-Amino-6-[4-[(4-methylpiperazin-1-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-Show More⌵

Mol. Formula:
C22H22F3N7O3S

M.W.:
521.53

9 activity values