Compounds

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4878259

Name:
(2E)-4,4,4-Trifluoro-2-[2-(4-methylphenyl)hydrazin
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Mol. Formula:
C17H13F3N2O2

M.W.:
334.30

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
58.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4876134

Name:
2-(dimethylamino)-2-oxoethyl 4'-(piperidin-4-yl)-5
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Mol. Formula:
C31H30F3N5O3

M.W.:
577.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
89.35

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4872814

Name:
(3E)-1,1,1-Trifluoro-3-[2-(4-methylphenyl)hydrazin
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Mol. Formula:
C12H11F3N2O2

M.W.:
272.23

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
58.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4872772

Name:
Methyl(2Z)-4,4,4-trifluoro-2-[2-(4-methoxyphenyl)h
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Mol. Formula:
C12H11F3N2O4

M.W.:
304.22

8 activity values

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
76.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4870030

Name:
Methyl(2Z)-4,4-difluoro-2-[2-(4-methylphenyl)hydra
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Mol. Formula:
C12H12F2N2O3

M.W.:
270.24

7 activity values

6 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4868687

Name:
Methyl(2Z)-4,4,4-trifluoro-2-[2-(4-methylphenyl)hy
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Mol. Formula:
C12H11F3N2O3

M.W.:
288.23

15 activity values

Type:
Unknown

AlogP:
2.07

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4868014

Name:
Ethyl(2Z)-4,4,4-trifluoro-2-[2-(4-bromophenyl)hydr
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Mol. Formula:
C12H10BrF3N2O3

M.W.:
367.12

10 activity values

8 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4863534

Name:
Ethyl(2E)-2-[2-(4-methylphenyl)hydrazinylidene]-3-
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Mol. Formula:
C13H16N2O3

M.W.:
248.28

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4859308

Name:
2-(dimethylamino)-2-oxoethyl 4-(4-(5-(hydroxymethy
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Mol. Formula:
C32H25F3N2O5

M.W.:
574.56

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.58

Polar Surface Area:
92.87

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4858186

Name:
Ethyl(2Z)-4,4,4-trifluoro-2-[2-(4-fluorophenyl)hyd
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Mol. Formula:
C12H10F4N2O3

M.W.:
306.21

10 activity values

8 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4856140

Name:
Ethyl 4-[(2Z)-2-(1-ethoxy-4,4,4-trifluoro-1,3-diox
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Mol. Formula:
C15H15F3N2O5

M.W.:
360.29

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
94.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4849604

Name:
Methyl(2Z)-4,4,5,5,6,6,6-heptafluoro-2-[2-(4-metho
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Mol. Formula:
C14H11F7N2O4

M.W.:
404.24

8 activity values

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
76.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4849511

Name:
Ethyl(2Z)-4,4-difluoro-2-[2-(4-methylphenyl)hydraz
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Mol. Formula:
C13H14F2N2O3

M.W.:
284.26

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4849436

Name:
Methyl(2Z)-4,4,4-trifluoro-3-oxo-2-(2-phenylhydraz
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Mol. Formula:
C11H9F3N2O3

M.W.:
274.20

8 activity values

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4849361

Name:
Ethyl(2Z)-4,4,4-trifluoro-2-[2-(4-methylphenyl)hyd
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Mol. Formula:
C13H13F3N2O3

M.W.:
302.25

11 activity values

8 unique targets

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4848799

Name:
Ethyl(2Z)-4,4,5,5,6,6,7,7,7-nonafluoro-2-[2-(4-met
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Mol. Formula:
C16H13F9N2O3

M.W.:
452.27

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
67.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4847987

Name:
Ethyl 2-[(2Z)-2-(1-ethoxy-4,4,4-trifluoro-1,3-diox
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Mol. Formula:
C15H15F3N2O5

M.W.:
360.29

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
94.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5094034

Name:
2-(dimethylamino)-2-oxoethyl 4-(4-((1R,4R,5R)-3-ox
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Mol. Formula:
C34H29F3N2O4

M.W.:
586.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5086569

Name:
2-(Dimethylamino)-2-oxoethyl 4-(4-((1R,4R,6S)-3-ox
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Mol. Formula:
C34H29F3N2O4

M.W.:
586.61

6 activity values