Compounds

ALA4745444

Name:
Ethyl 2-(2-Cyanophenyl)-1-methoxy-4-methyl-1H-imid
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Mol. Formula:
C15H15N3O3

M.W.:
285.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4745419

Name:
Ethyl 1-Methoxy-4-methyl-2-phenyl-1H-imidazole-5-c
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Mol. Formula:
C14H16N2O3

M.W.:
260.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4744741

Name:
Ethyl 1-(Benzyloxy)-2-(3-cyanophenyl)-4-methyl-1H-
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Mol. Formula:
C21H19N3O3

M.W.:
361.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4742313

Name:
3-{[2-(3-Cyanophenyl)-5-(ethoxycarbonyl)-4-methyl-
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Mol. Formula:
C17H17N3O5

M.W.:
343.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
114.44

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4764917

Name:
Ethyl 2-(3-Cyanophenyl)-1-methoxy-4-methyl-1H-imid
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Mol. Formula:
C15H15N3O3

M.W.:
285.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4763820

Name:
Ethyl 2-(3-Cyanophenyl)-1-(2-ethoxyethoxy)-4-methy
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Mol. Formula:
C18H21N3O4

M.W.:
343.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
86.37

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4763814

Name:
ethyl 2-(3-cyano-4-isobutoxyphenyl)-1-hydroxy-4-me
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Mol. Formula:
C18H21N3O4

M.W.:
343.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
97.37

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4762718

Name:
Ethyl 2-(3-Cyanophenyl)-4-methyl-1-[(4-nitrobenzyl
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Mol. Formula:
C21H18N4O5

M.W.:
406.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
120.28

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4762246

Name:
Ethyl 2-(3-Cyanophenyl)-4-methyl-1H-imidazole-5-ca
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Mol. Formula:
C14H13N3O2

M.W.:
255.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
78.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4761960

Name:
Ethyl 2-(3-Cyanophenyl)-1-hydroxy-4-methyl-1H-imid
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Mol. Formula:
C14H13N3O3

M.W.:
271.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
88.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4761009

Name:
Ethyl 1-[(4-Chlorobenzyl)oxy]-2-(3-cyanophenyl)-4-
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Mol. Formula:
C21H18ClN3O3

M.W.:
395.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4759436

Name:
Ethyl 2-(3-Cyanophenyl)-1-[(4-fluorobenzyl)oxy]-4-
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Mol. Formula:
C21H18FN3O3

M.W.:
379.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4759062

Name:
Ethyl 1-[(4-Bromobenzyl)oxy]-2-(3-cyanophenyl)-4-m
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Mol. Formula:
C21H18BrN3O3

M.W.:
440.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4758824

Name:
1-(Benzyloxy)-2-(3-cyanophenyl)-4-methyl-1H-imidaz
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Mol. Formula:
C19H15N3O3

M.W.:
333.35

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
88.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4757679

Name:
Ethyl 1-[(2-Chlorobenzyl)oxy]-2-(3-cyanophenyl)-4-
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Mol. Formula:
C21H18ClN3O3

M.W.:
395.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4756830

Name:
Ethyl 2-(3-Cyanophenyl)-4-methyl-1-(pyridin-4-ylme
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Mol. Formula:
C20H18N4O3

M.W.:
362.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
90.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4777954

Name:
Ethyl 2-(3-Cyanophenyl)-1,4-dimethyl-1H-imidazole-
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Mol. Formula:
C15H15N3O2

M.W.:
269.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
67.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4777430

Name:
Ethyl 1-[(3-Chlorobenzyl)oxy]-2-(3-cyanophenyl)-4-
Show More⌵

Mol. Formula:
C21H18ClN3O3

M.W.:
395.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4785014

Name:
2-(3-Cyanophenyl)-4-methyl-1-((4-methyl benzyl)oxy
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Mol. Formula:
C20H17N3O3

M.W.:
347.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
88.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4783961

Name:
Ethyl 2-(3-Cyanophenyl)-1-[(2-fluorobenzyl)oxy]-4-
Show More⌵

Mol. Formula:
C21H18FN3O3

M.W.:
379.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS