Compounds

ALA1091554

Name:
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C23H27N3O2

M.W.:
377.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
78.87

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1091553

Name:
3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C23H27N3O2

M.W.:
377.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
78.87

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1092730

Name:
4'-(2-(4-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl
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Mol. Formula:
C25H26F2N2O2

M.W.:
424.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1091918

Name:
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C22H33N3

M.W.:
339.53

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1091917

Name:
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C18H24N6

M.W.:
324.43

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
72.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1089523

Name:
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C19H25N5

M.W.:
323.44

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1089522

Name:
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C19H25N5

M.W.:
323.44

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1089521

Name:
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C20H26N4

M.W.:
322.46

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
46.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1089512

Name:
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C21H26N4

M.W.:
334.47

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1082471

Name:
4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C20H25N3S

M.W.:
339.51

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1089511

Name:
4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C19H24N4S

M.W.:
340.50

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1093459

Name:
5-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C20H25N3S

M.W.:
339.51

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1093184

Name:
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C22H26FN3

M.W.:
351.47

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1093183

Name:
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C23H26N4

M.W.:
358.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1092381

Name:
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C22H28N4

M.W.:
348.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1093170

Name:
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C22H27N3O

M.W.:
349.48

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
61.80

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1091985

Name:
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C23H29N3

M.W.:
347.51

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1091984

Name:
4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C22H27N3

M.W.:
333.48

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1091599

Name:
3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Mol. Formula:
C22H27N3

M.W.:
333.48

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1091720

Name:
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et
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Cas Number:
1021937-07-4

Mol. Formula:
C22H27N3

M.W.:
333.48

26 activity values

15 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS