Compounds

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
81.67

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4875835

Name:
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-y
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Mol. Formula:
C20H18N6OS

M.W.:
390.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
75.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4875191

Name:
(1R,5S,6R)-N-((S)-1-(imidazo[1,2-a]pyrazin-8-yl)py
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Mol. Formula:
C22H29N7O2

M.W.:
423.52

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
86.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4874070

Name:
(1R,5S,6r)-3-(cyclopentanecarbonyl)-N-((S)-1-(imid
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Mol. Formula:
C22H28N6O2

M.W.:
408.51

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
82.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4868656

Name:
[4-[[[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-
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Mol. Formula:
C23H32N6O2

M.W.:
424.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.70

Polar Surface Area:
75.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4867524

Name:
(1R,5S,6r)-N-((S)-1-(imidazo[1,2-a]pyrazin-8-yl)py
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Mol. Formula:
C21H27N7O2

M.W.:
409.49

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
86.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4859270

Name:
(S)-1-((1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-car
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Mol. Formula:
C24H32N6O3

M.W.:
452.56

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
92.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4790829

Name:
5-(2,4-Difluoro-phenyl)-isoxazole-3-carboxylic aci
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Mol. Formula:
C17H17F4N3O2

M.W.:
371.33

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4790430

Name:
(3S,4S)-1-(3,3-Difluoro-cyclobutyl)-4-([5-(2,4-dif
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Mol. Formula:
C27H26F4N6O3

M.W.:
558.54

6 activity values

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
113.25

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4789874

Name:
(3S,4S)-1-Cyclohexyl-4-([5-(2,4-difluoro-phenyl)-i
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Mol. Formula:
C30H33F2N5O3

M.W.:
549.62

5 activity values

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
100.36

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4862034

Name:
(1R,5S,6S)-N-((S)-1-(imidazo[1,2-a]pyrazin-8-yl)py
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Mol. Formula:
C21H26N6O3

M.W.:
410.48

Type:
Unknown

AlogP:
0.31

Polar Surface Area:
92.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4850025

Name:
(1R,5S,6r)-N6-((S)-1-(3-cyanopyridin-2-yl)pyrrolid
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Mol. Formula:
C20H26N6O2

M.W.:
382.47

Type:
Unknown

AlogP:
0.90

Polar Surface Area:
92.57

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4848754

Name:
(1R,5S,6r)-N3-ethyl-N6-((S)-1-(imidazo[1,2-a]pyraz
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Mol. Formula:
C20H27N7O2

M.W.:
397.48

21 activity values

Type:
Unknown

AlogP:
0.67

Polar Surface Area:
86.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4782111

Name:
(3S,4S)-1-Cyclopropylmethyl-4-([5-(2,4-difluoro-ph
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Mol. Formula:
C27H28F2N6O3

M.W.:
522.56

52 activity values

12 unique targets

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
113.25

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4862143

Name:
(1R,5S,6S)-N-((S)-1-(imidazo[1,2-a]pyrazin-8-yl)py
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Mol. Formula:
C22H29N7O2

M.W.:
423.52

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
86.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4862073

Name:
(1R,5S,6r)-N6-((S)-1-(imidazo[1,2-a]pyrazin-8-yl)p
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Mol. Formula:
C19H25N7O2

M.W.:
383.46

Type:
Unknown

AlogP:
0.28

Polar Surface Area:
86.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4847700

Name:
Rac-1-((1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-car
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Mol. Formula:
C24H32N6O3

M.W.:
452.56

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
92.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4846449

Name:
(1R,5S,6r)-N3-ethyl-N3-methyl-N6-((S)-1-(pyrazolo[
Show More⌵

Mol. Formula:
C20H27N7O2

M.W.:
397.48

Type:
Unknown

AlogP:
0.67

Polar Surface Area:
86.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4757151

Name:
(3S,4S)-4-([5-(2,4-Difluoro-phenyl)-isoxazole-3-ca
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Mol. Formula:
C26H28F2N6O4

M.W.:
526.54

6 activity values

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
122.48

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4757001

Name:
(3S,4S)-1-Cyclobutyl-4-([5-(2,4-difluoro-phenyl)-i
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Mol. Formula:
C27H28F2N6O3

M.W.:
522.56

6 activity values