Compounds

ALA5282475

Name:
3-(3-(4-amino-3-(5-formyl-1-methyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-pyrazoloShow More⌵

Mol. Formula:
C18H21N9O2

M.W.:
395.43

Type:
---

AlogP:
-0.08

Polar Surface Area:
146.06

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5282427

Name:
3-(5-((2-methyl-1-(neopentylamino)-1-oxopropan-2-yl)amino)-1,2,4-triazin-3-Show More⌵

Mol. Formula:
C20H26N8O2

M.W.:
410.48

Type:
---

AlogP:
1.87

Polar Surface Area:
151.57

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5282343

Name:
(R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methyl-N-(3-methyl-1H-pyrazol-Show More⌵

Mol. Formula:
C21H20FN5

M.W.:
361.42

Type:
---

AlogP:
4.79

Polar Surface Area:
58.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5279689

Name:
1-(3-(4-amino-3-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl)-2,3-dihShow More⌵

Mol. Formula:
C19H26N8O2

M.W.:
398.47

Type:
---

AlogP:
0.22

Polar Surface Area:
125.43

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5279426

Name:
3-(3-(4-amino-3-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl)-2,3-dihShow More⌵

Mol. Formula:
C20H27N9O2

M.W.:
425.50

Type:
---

AlogP:
0.34

Polar Surface Area:
149.22

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5278860

Name:
2-((3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-N-nShow More⌵

Mol. Formula:
C19H22N8O

M.W.:
378.44

Type:
---

AlogP:
2.25

Polar Surface Area:
132.27

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5277257

Name:
3-(5-((3-methyl-1-(neopentylamino)-1-oxobutan-2-yl)amino)-1,2,4-triazin-3-yShow More⌵

Mol. Formula:
C21H28N8O2

M.W.:
424.51

Type:
---

AlogP:
2.11

Polar Surface Area:
151.57

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5276235

Name:
2-((3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-2-mShow More⌵

Mol. Formula:
C20H24N8O

M.W.:
392.47

Type:
---

AlogP:
2.64

Polar Surface Area:
132.27

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5275648

Name:
2-((3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-2-Show More⌵

Mol. Formula:
C19H24FN7O

M.W.:
385.45

Type:
---

AlogP:
2.91

Polar Surface Area:
108.48

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5275010

Name:
2-((3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-3-Show More⌵

Mol. Formula:
C20H26ClN7O

M.W.:
415.93

Type:
---

AlogP:
3.67

Polar Surface Area:
108.48

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5291189

Name:
3-(5-((1-(neopentylamino)-1-oxopropan-2-yl)amino)-1,2,4-triazin-3-yl)-1H-pyShow More⌵

Mol. Formula:
C19H24N8O2

M.W.:
396.46

Type:
---

AlogP:
1.48

Polar Surface Area:
151.57

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5290237

Name:
2-((3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-3Show More⌵

Mol. Formula:
C21H29N7O2

M.W.:
411.51

Type:
---

AlogP:
3.02

Polar Surface Area:
117.71

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5287222

Name:
2-((3-(5-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-3-mShow More⌵

Mol. Formula:
C21H26N8O

M.W.:
406.49

Type:
---

AlogP:
2.89

Polar Surface Area:
132.27

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5284095

Name:
6-(5-(10-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoShow More⌵

Mol. Formula:
C55H69N13O7S

M.W.:
1056.31

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269065

Name:
2-((3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl)amino)-3-Show More⌵

Mol. Formula:
C20H26FN7O

M.W.:
399.47

Type:
---

AlogP:
3.15

Polar Surface Area:
108.48

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5272587

Name:
1-(3-(4-amino-3-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-yl)-2,3-dihShow More⌵

Mol. Formula:
C20H28N8O2

M.W.:
412.50

Type:
---

AlogP:
0.61

Polar Surface Area:
125.43

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5198990

Name:
((4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)carbamoyl)glycine

Mol. Formula:
C15H14N6O4

M.W.:
342.32

1 activity values

1 unique targets

Type:
---

AlogP:
1.54

Polar Surface Area:
155.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5197521

Name:
4-((5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)-N-methylbeShow More⌵

Mol. Formula:
C17H14F2N6O2

M.W.:
372.33

6 activity values

2 unique targets

Type:
---

AlogP:
1.93

Polar Surface Area:
114.93

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5197436

Name:
6-(4-(5-amino-3-(4-sulfamoylphenylamino)-1H-1,2,4-triazole-1-carboxamido)phShow More⌵

Mol. Formula:
C20H17N9O5S

M.W.:
495.48

1 activity values

1 unique targets

Type:
---

AlogP:
1.49

Polar Surface Area:
221.10

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5196142

Name:
(S)-2-(3-(4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)ureido)-4-Show More⌵

Mol. Formula:
C23H22N6O4

M.W.:
446.47

6 activity values

3 unique targets

Type:
---

AlogP:
3.54

Polar Surface Area:
155.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS