Compounds

ALA3138600

Name:
cis-9-(3-bromo-4-fluorophenyl)-3-methyl-8,8-dioxo-
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Mol. Formula:
C17H15BrFNO4S

M.W.:
428.28

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
72.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3138599

Name:
trans-9-(3-bromo-4-fluorophenyl)-3-methyl-8,8-diox
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Mol. Formula:
C17H15BrFNO4S

M.W.:
428.28

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
72.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3138575

Name:
trans-8-(3-bromo-4-fluorophenyl)-5-methyl-1,1-diox
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Mol. Formula:
C16H13BrFNO4S

M.W.:
414.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
72.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3138574

Name:
cis-8-(3-Bromo-4-fluorophenyl)-5-methyl-1,1-dioxo-
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Mol. Formula:
C16H13BrFNO4S

M.W.:
414.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
72.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1788243

Name:
4-chloro-N-(2,2-dichloro-1-{[(E)-(cyanoimino)(pyri
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Mol. Formula:
C17H15Cl3N6O

M.W.:
425.71

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
102.20

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA239512

Name:
4-chloro-N-(2,2-dichloro-1-{[(E)-(cyanoimino)(pyri
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Mol. Formula:
C17H15Cl3N6O

M.W.:
425.71

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
102.20

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA214672

Name:
rac-trans-10-(3-bromo-4-methylphenyl)-1-ethyl-9,10
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Mol. Formula:
C20H20BrNO4

M.W.:
418.29

6 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA384576

Name:
cis-9-(3-bromo-4-fluorophenyl)-3-isobutyl-5,9-dihy
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Mol. Formula:
C20H19BrFNO4

M.W.:
436.28

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA217696

Name:
9-(3-bromo-4-fluorophenyl)-5,5-dimethyl-5,9-dihydr
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Mol. Formula:
C18H15BrFNO4

M.W.:
408.22

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA385908

Name:
trans-9-(3-bromo-4-fluorophenyl)-5-methyl-5,9-dihy
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Mol. Formula:
C17H13BrFNO4

M.W.:
394.20

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA217511

Name:
9-(3-bromo-4-fluorophenyl)-5,9-dihydro-3H,4H-2,6-d
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Mol. Formula:
C16H11BrFNO4

M.W.:
380.17

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA386853

Name:
rac-trans-1-ethyl-10-(4-fluoro-3-iodophenyl)-9,10-
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Mol. Formula:
C19H17FINO4

M.W.:
469.25

6 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA413532

Name:
(cis)-9-(3-bromo-4-fluorophenyl)-5-methyl-5,9-dihy
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Mol. Formula:
C17H13BrFNO4

M.W.:
394.20

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA386119

Name:
rac-cis-5-(3-bromo-4-fluorophenyl)-1-ethyl-5,10-di
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Mol. Formula:
C19H17BrFNO4

M.W.:
422.25

6 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA384078

Name:
trans-9-(3-bromo-4-fluorophenyl)-3-ethyl-5,9-dihyd
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Mol. Formula:
C18H15BrFNO3S

M.W.:
424.29

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
58.89

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA214566

Name:
rac-trans-9-(3-chloro-4-fluorophenyl)-3-propyl-5,9
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Mol. Formula:
C19H17ClFNO4

M.W.:
377.80

9 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA386843

Name:
rac-trans-(3-bromo-4-fluorophenyl)-3-butyl-5,9-dih
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Mol. Formula:
C20H19BrFNO4

M.W.:
436.28

10 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA215375

Name:
rac-trans-9-(3-bromo-4-fluorophenyl)-3-ethyl-5,9-d
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Mol. Formula:
C18H15BrFNO4

M.W.:
408.22

17 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA384537

Name:
rac-trans-9-(3-bromo-4-fluorophenyl)-7-ethyl-5,9-d
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Mol. Formula:
C18H15BrFNO4

M.W.:
408.22

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA215739

Name:
10-(3-bromo-4-fluorophenyl)-3,3-diethyl-9,10-dihyd
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Mol. Formula:
C21H21BrFNO4

M.W.:
450.30

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
68.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS