Compounds

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
133.21

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5084092

Name:
N-(Cyclopentyl(phenyl)methyl)-2-(1H-imidazol-1-yl)
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Mol. Formula:
C18H23N3O

M.W.:
297.40

5 activity values

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5083975

Name:
N-(Cyclohexyl(phenyl)methyl)-2-(1H-imidazol-1-yl)-
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Mol. Formula:
C19H25N3O

M.W.:
311.43

5 activity values

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA388881

Name:
(R)-1-(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrro
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Mol. Formula:
C22H23N3O3

M.W.:
377.44

3 activity values

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA233236

Name:
2-((4-(1H-imidazol-1-yl)phenoxy)methyl)-1-(benzo[d
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Mol. Formula:
C23H25N3O3

M.W.:
391.47

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA233235

Name:
3-((4-(1H-imidazol-1-yl)phenoxy)methyl)-1-(benzo[d
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Mol. Formula:
C23H25N3O3

M.W.:
391.47

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA388880

Name:
3-(4-(1H-imidazol-1-yl)phenoxy)-1-(benzo[d][1,3]di
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Mol. Formula:
C23H25N3O3

M.W.:
391.47

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA233032

Name:
3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-3-y
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Mol. Formula:
C20H21N5O3

M.W.:
379.42

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
74.53

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA233031

Name:
N-(4-(1H-imidazol-1-yl)phenyl)-1-(benzo[d][1,3]dio
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Mol. Formula:
C22H24N4O2

M.W.:
376.46

3 activity values

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
51.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA233030

Name:
(S)-1-(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrol
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Mol. Formula:
C21H21N3O3

M.W.:
363.42

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA388417

Name:
(R)-1-(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrol
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Mol. Formula:
C21H21N3O3

M.W.:
363.42

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA388205

Name:
1-(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrolidin
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Mol. Formula:
C21H21N3O3

M.W.:
363.42

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA232827

Name:
(S)-3-(4-(1H-imidazol-1-yl)phenoxy)-1-(benzo[d][1,
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Mol. Formula:
C22H23N3O3

M.W.:
377.44

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA232826

Name:
(R)-3-(4-(1H-imidazol-1-yl)phenoxy)-1-(benzo[d][1,
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Mol. Formula:
C22H23N3O3

M.W.:
377.44

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA232825

Name:
3-(4-(1H-imidazol-1-yl)phenoxy)-1-(benzo[d][1,3]di
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Mol. Formula:
C22H23N3O3

M.W.:
377.44

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
48.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA233441

Name:
2-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)(benzo[d]
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Mol. Formula:
C30H39N5O4

M.W.:
533.67

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
81.09

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA395498

Name:
2-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)(benzo[d]
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Mol. Formula:
C29H27F3N4O4

M.W.:
552.55

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
77.85

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA232819

Name:
2-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)(benzo[d]
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Mol. Formula:
C29H28N4O6

M.W.:
528.57

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
96.31

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA232422

Name:
2-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)(benzo[d]
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Mol. Formula:
C21H21N3O5

M.W.:
395.42

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
86.05

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA396273

Name:
ethyl 2-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)(be
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Mol. Formula:
C23H25N3O5

M.W.:
423.47