Compounds

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
76.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4741912

Name:
N2-(1H-Benzo[d]imidazol-6-yl)-N4-cyclopropyl-5-(tr
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Mol. Formula:
C15H13F3N6

M.W.:
334.31

9 activity values

3 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4775995

Name:
5-Bromo-4-(3-fluorophenoxy)-N-(m-tolyl)pyrimidin-2
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Mol. Formula:
C17H13BrFN3O

M.W.:
374.21

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
47.04

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4763740

Name:
5-Bromo-4-(4-bromophenoxy)-N-(m-tolyl)pyrimidin-2-
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Mol. Formula:
C17H13Br2N3O

M.W.:
435.12

Type:
Unknown

AlogP:
5.85

Polar Surface Area:
47.04

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4762707

Name:
2-((5-Bromo-2-(m-tolylamino)pyrimidin-4-yl)oxy)-N-
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Mol. Formula:
C19H17BrN4O2

M.W.:
413.28

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
76.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4762124

Name:
2-((5-Bromo-2-((2,4-dimethylphenyl)amino)pyrimidin
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Mol. Formula:
C20H19BrN4O2

M.W.:
427.30

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
76.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4761770

Name:
N4-(3-aminopropyl)-5-iodo-N2-(3,4,5-trimethoxyphen
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Mol. Formula:
C16H22IN5O3

M.W.:
459.29

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
103.55

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4759627

Name:
5-Bromo-N-(4-chlorophenyl)-4-(2-fluoro-4-nitrophen
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Mol. Formula:
C16H9BrClFN4O3

M.W.:
439.63

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
90.18

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4759023

Name:
4-(2-Fluoro-4-nitrophenoxy)-N-(3,4,5-trimethoxyphe
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Mol. Formula:
C19H17FN4O5

M.W.:
400.37

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
108.64

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4758769

Name:
N4-Cyclopropyl-N2-(3,4-dihydro-2H-benzo[b][1,4]dio
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Mol. Formula:
C17H17F3N4O2

M.W.:
366.34

5 activity values

2 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
68.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4758675

Name:
5-Bromo-4-(2-fluoro-4-nitrophenoxy)-N-(3,4,5-trime
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Mol. Formula:
C19H16BrFN4O6

M.W.:
495.26

19 activity values

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
117.87

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4779423

Name:
N4-Cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluo
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Mol. Formula:
C16H17F3N4O2

M.W.:
354.33

31 activity values

5 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
68.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4779407

Name:
5-Bromo-N-(4-bromophenyl)-4-(2-fluoro-4-nitropheno
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Mol. Formula:
C16H9Br2FN4O3

M.W.:
484.08

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
90.18

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4778997

Name:
N-(4-((4-(Cyclopropylamino)-5-(trifluoromethyl)pyr
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Mol. Formula:
C18H18F3N5O

M.W.:
377.37

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
78.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4777354

Name:
N4-Cyclopropyl-N2-(2,2-difluorobenzo[d][1,3]dioxol
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Mol. Formula:
C15H11F5N4O2

M.W.:
374.27

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
68.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4776497

Name:
N4-Cyclopropyl-N2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
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Mol. Formula:
C15H13F3N6

M.W.:
334.31

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4783288

Name:
5-Bromo-4-(2-ethoxyphenoxy)-N-(m-tolyl)pyrimidin-2
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Mol. Formula:
C19H18BrN3O2

M.W.:
400.28

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
56.27

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4782961

Name:
N2-(1H-Benzo[d][1,2,3]triazol-6-yl)-N4-cyclopropyl
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Mol. Formula:
C14H12F3N7

M.W.:
335.29

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4782366

Name:
2-((2-(benzo[d][1,3]clioxol-5-ylamino)-5-bromopyri
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Mol. Formula:
C19H15BrN4O4

M.W.:
443.26

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
94.60

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4753666

Name:
2-((5-bromo-2-((4-bromophenyl)amino)pyrimidin-4-yl
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Mol. Formula:
C18H14Br2N4O2

M.W.:
478.14