Compounds

Type:
---

AlogP:
3.08

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5189694

Name:
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-
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Mol. Formula:
C22H15F7N6O2

M.W.:
528.39

Type:
---

AlogP:
4.03

Polar Surface Area:
98.84

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4245858

Name:
N2-benzyl-N4,N4,6-trimethylpyrimidine-2,4-diamine

Mol. Formula:
C14H18N4

M.W.:
242.33

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
41.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3318326

Name:
(S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)eth
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Mol. Formula:
C28H25Cl4N5O2

M.W.:
605.35

Type:
Small molecule

AlogP:
7.81

Polar Surface Area:
62.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3318325

Name:
(R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)eth
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Mol. Formula:
C28H25Cl4N5O2

M.W.:
605.35

Type:
Small molecule

AlogP:
7.81

Polar Surface Area:
62.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3318324

Name:
(S)-1-(4-chlorophenyl)-(1H-imidazol-1-yl)ethyl 4-(
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Mol. Formula:
C24H19ClN4O4S

M.W.:
494.96

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
99.29

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3318323

Name:
(R)-1-(4-chlorophenyl)-(1H-imidazol-1-yl)ethyl 4-(
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Mol. Formula:
C24H19ClN4O4S

M.W.:
494.96

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
99.29

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3318322

Name:
(S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3
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Mol. Formula:
C18H20FN5O2

M.W.:
357.39

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
73.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3318311

Name:
(R)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3
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Mol. Formula:
C18H20FN5O2

M.W.:
357.39

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
73.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3318310

Name:
(S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl-4
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Mol. Formula:
C21H22FN3O2

M.W.:
367.42

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3318309

Name:
(R)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl-4
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Mol. Formula:
C21H22FN3O2

M.W.:
367.42

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2431639

Name:
(S)-N-(3-(Naphthalen-1-yl)-1-oxo-1-(pyridin-4-ylam
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Mol. Formula:
C25H27N3O2

M.W.:
401.51

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
71.09

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2431638

Name:
(S)-N-(3-(Benzo[b]thiophen-3-yl)-1-oxo-1-(pyridin-
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Mol. Formula:
C23H25N3O2S

M.W.:
407.54

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2431529

Name:
(S)-4-methyl-N-(3-methyl-1-oxo-1-(pyridin-4-ylamin
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Mol. Formula:
C18H27N3O2

M.W.:
317.43

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
71.09

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2431528

Name:
(S)-4-methyl-N-(4-(methylthio)-1-oxo-1-(pyridin-4-
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Mol. Formula:
C18H27N3O2S

M.W.:
349.50

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2386133

Name:
2-(morpholin-4-yl)ethyl(2-chloropyridin-4-yl)carba
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Mol. Formula:
C12H16ClN3O3

M.W.:
285.73

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
63.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2386132

Name:
2-(morpholin-4-yl)ethyl(2,6-dichloropyridin-4-yl)c
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Mol. Formula:
C12H15Cl2N3O3

M.W.:
320.18

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
63.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2386131

Name:
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl(3-bromo
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Mol. Formula:
C12H12BrN5O4

M.W.:
370.16

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
112.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2326058

Name:
1-(3-(o-Tolyloxy)benzyl)-1H-imidazole

Mol. Formula:
C17H16N2O

M.W.:
264.33