Compounds

ALA4293479

Name:
4-(2,4-dichlorobenzyl)-1-(2-(2,4-dichlorobenzyloxy
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Mol. Formula:
C24H18Cl5F2N3O

M.W.:
579.69

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
30.93

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4292851

Name:
1-(2-(2,4-difluorophenyl)-2-(2-fluorobenzyloxy)eth
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Mol. Formula:
C24H20ClF4N3O

M.W.:
477.89

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
30.93

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4292427

Name:
1-(2-(2,4-difluorophenyl)-2-(4-nitrobenzyloxy)ethy
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Mol. Formula:
C17H14F2N4O3

M.W.:
360.32

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
83.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4289022

Name:
1-(2-(2-chlorobenzyloxy)-2-(2,4-difluorophenyl)eth
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Mol. Formula:
C17H14ClF2N3O

M.W.:
349.77

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4288584

Name:
1-(2-(2,4-dichlorobenzyloxy)-2-(2,4-difluorophenyl
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Mol. Formula:
C17H13Cl2F2N3O

M.W.:
384.21

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4288139

Name:
7-(4-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1
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Mol. Formula:
C24H23F2N3O4

M.W.:
455.46

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
79.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4285666

Name:
4-(3,4-dichlorobenzyl)-1-(2-(3,4-dichlorobenzyloxy
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Mol. Formula:
C24H18Cl5F2N3O

M.W.:
579.69

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
30.93

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4285634

Name:
1-(2-(4-chlorobenzyloxy)-2-(2,4-difluorophenyl)eth
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Mol. Formula:
C17H14ClF2N3O

M.W.:
349.77

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4285240

Name:
1-(2-(2,4-difluorobenzyloxy)-2-(2,4-difluorophenyl
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Mol. Formula:
C17H13F4N3O

M.W.:
351.30

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4284744

Name:
1,6-bis(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol
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Mol. Formula:
C26H28F4N6O2

M.W.:
532.54

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
79.88

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4283682

Name:
7-(6-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1
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Mol. Formula:
C26H27F2N3O4

M.W.:
483.52

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
79.38

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4282255

Name:
1-(2-(2,4-difluorophenyl)-2-(4-nitrobenzyloxy)ethy
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Mol. Formula:
C24H20ClF2N5O5

M.W.:
531.90

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
117.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4281801

Name:
1-(2-(2,4-difluorophenyl)-2-(2-fluorobenzyloxy)eth
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Mol. Formula:
C17H14F3N3O

M.W.:
333.31

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4280679

Name:
1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)et
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Cas Number:
206050-23-9

Mol. Formula:
C10H9F2N3O

M.W.:
225.20

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.29

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4280232

Name:
7-(2-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1
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Mol. Formula:
C22H19F2N3O4

M.W.:
427.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
79.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4278784

Name:
1-(2-(2,4-difluorophenyl)-2-propoxyethyl)-1H-1,2,4
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Mol. Formula:
C13H15F2N3O

M.W.:
267.28

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4278345

Name:
1-(2-(3-chlorobenzyloxy)-2-(2,4-difluorophenyl)eth
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Mol. Formula:
C17H14ClF2N3O

M.W.:
349.77

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4277728

Name:
4-(2,4-difluorobenzyl)-1-(2-(2,4-difluorobenzyloxy
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Mol. Formula:
C24H18ClF6N3O

M.W.:
513.87

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
30.93

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4277286

Name:
1-(2-(3,4-dichlorobenzyloxy)-2-(2,4-difluorophenyl
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Mol. Formula:
C17H13Cl2F2N3O

M.W.:
384.21

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4276799

Name:
1,4-bis(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol
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Mol. Formula:
C24H24F4N6O2

M.W.:
504.49

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
79.88

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS