Compounds

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4096282

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2,5-dic
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Mol. Formula:
C13H11Cl2N3O4

M.W.:
344.15

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4095662

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzo[d
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Mol. Formula:
C14H12N4O4S

M.W.:
332.34

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
100.15

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4104040

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methy
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Mol. Formula:
C14H15N3O4

M.W.:
289.29

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4100978

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-methy
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Mol. Formula:
C14H14N4O6

M.W.:
334.29

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
130.40

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4100013

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromo
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Mol. Formula:
C13H12BrN3O4

M.W.:
354.16

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4093881

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-chlor
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Cas Number:
102274-41-9

Mol. Formula:
C13H12ClN3O4

M.W.:
309.71

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4092265

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 1H-indo
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Cas Number:
1252131-29-5

Mol. Formula:
C15H14N4O4

M.W.:
314.30

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
103.05

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4088561

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-chlor
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Mol. Formula:
C13H12ClN3O4

M.W.:
309.71

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4086122

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,5-dim
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Cas Number:
941010-49-7

Mol. Formula:
C15H17N3O6

M.W.:
335.32

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
105.72

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4084524

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-chlor
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Mol. Formula:
C13H10ClF2N3O4

M.W.:
345.69

2 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4074226

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-nitro
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Cas Number:
13357-10-3

Mol. Formula:
C13H12N4O6

M.W.:
320.26

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
130.40

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4073248

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-methy
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Mol. Formula:
C14H15N3O4

M.W.:
289.29

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4071944

Name:
2-(3,4-dichlorophenyl)-1H-benzo[d]imidazole

Cas Number:
67370-32-5

Mol. Formula:
C13H8Cl2N2

M.W.:
263.13

2 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4071468

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl nicotin
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Mol. Formula:
C12H12N4O4

M.W.:
276.25

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
100.15

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4070020

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluor
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Cas Number:
501650-03-9

Mol. Formula:
C13H12FN3O4

M.W.:
293.25

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4063319

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-napht
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Mol. Formula:
C17H15N3O4

M.W.:
325.32

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4062846

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-nitro
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Mol. Formula:
C13H12N4O6

M.W.:
320.26

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
130.40

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4078230

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-fluor
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Mol. Formula:
C13H12FN3O4

M.W.:
293.25

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
87.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4075884

Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-methy
Show More⌵

Mol. Formula:
C14H15N3O4

M.W.:
289.29