Compounds

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
80.48

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4535685

Name:
2-Methoxy-5-(4-methyl-5-(4-(piperazin-1-yl)phenyl)
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Mol. Formula:
C24H26N4O2

M.W.:
402.50

3 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
80.48

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4571351

Name:
2-Fluoro-4-(4-methyl-5-(4-(piperazin-1-yl)phenyl)p
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Mol. Formula:
C23H23FN4O

M.W.:
390.46

6 activity values

3 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
71.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4517408

Name:
1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridy
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Mol. Formula:
C25H29N3O3

M.W.:
419.53

103 activity values

27 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4548795

Name:
2-Fluoro-4-(5-(4-(4-isopropylpiperazin-1-yl)phenyl
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Mol. Formula:
C27H31FN4O2

M.W.:
462.57

51 activity values

32 unique targets

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
71.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4744674

Name:
N-(4-(piperazin-1-yl)phenyl)-4-(2-(pyridin-3-yl)-6
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Mol. Formula:
C25H26N8O

M.W.:
454.54

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
93.02

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4742906

Name:
2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-
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Mol. Formula:
C27H25N5

M.W.:
419.53

16 activity values

12 unique targets

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
54.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4741939

Name:
4-[7-[6-(4-isopropylpiperazin-1-yl)-3-pyridyl]imid
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Mol. Formula:
C29H30N6

M.W.:
462.60

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
49.56

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4740381

Name:
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-
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Mol. Formula:
C27H25N5

M.W.:
419.53

36 activity values

17 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4763186

Name:
N-(2-methoxyphenyl)-4-(2-(pyridin-3-yl)-6,7-dihydr
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Mol. Formula:
C22H20N6O2

M.W.:
400.44

2 activity values

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
86.98

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4761728

Name:
7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2
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Mol. Formula:
C24H22N6S

M.W.:
426.55

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
49.56

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4760836

Name:
N-(4-(4-(2-methoxyethyl)piperazin-1-yl)phenyl)-4-(
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Mol. Formula:
C29H33N7O2

M.W.:
511.63

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
80.57

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4575999

Name:
5-(4-Methyl-5-(4-(piperazin-1-yl)phenyl)pyridin-3-
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Mol. Formula:
C24H24N4O

M.W.:
384.48

9 activity values

3 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
57.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4759531

Name:
6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)
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Mol. Formula:
C28H26FN5

M.W.:
451.55

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
36.67

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4757577

Name:
6-fluoro-2-methyl-4-[7-[6-[(3R)-3-methylpiperazin-
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Mol. Formula:
C27H25FN6

M.W.:
452.54

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4757547

Name:
4-[7-[6-(1,7-diazaspiro[4.4]nonan-7-yl)-5-methyl-3
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Mol. Formula:
C30H30N6

M.W.:
474.61

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4756639

Name:
6-fluoro-2-methyl-4-[7-[6-[(1-methyl-4-piperidyl)o
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Mol. Formula:
C28H26FN5O

M.W.:
467.55

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
55.55

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4779300

Name:
3-[4-[3-(2-methyl-4-quinolyl)imidazo[1,2-a]pyridin
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Mol. Formula:
C27H24N4O

M.W.:
420.52

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
51.45

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4778971

Name:
6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl
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Mol. Formula:
C27H23F2N5

M.W.:
455.51

16 activity values

12 unique targets

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
54.25

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4778527

Name:
6-fluoro-4-[7-[4-(4-isopropylpiperazin-1-yl)phenyl
Show More⌵

Mol. Formula:
C30H30FN5

M.W.:
479.60