Compounds

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

ALA5086123

Name:
2-(dimethylamino)-2-oxoethyl 4-(4-((1R,4R,5R)-2-acetyl-2-azabicyclo[2.2.1]hShow More⌵

Mol. Formula:
C36H33F3N2O4

M.W.:
614.66

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5077671

Name:
(1S,4S,5S)-ethyl 5-(4-(3-((2-(dimethylamino)-2-oxoethoxy)carbonyl)-6-(4-(trShow More⌵

Mol. Formula:
C37H35F3N2O5

M.W.:
644.69

9 activity values

Type:
Unknown

AlogP:
7.77

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4879228

Name:
Ethyl(2Z)-4,4,5,5,6,6,6-heptafluoro-2-[2-(4-methylphenyl)hydrazinylidene]-3Show More⌵

Mol. Formula:
C15H13F7N2O3

M.W.:
402.27

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)hydrazinylidene]-1-phenylbutane-1Show More⌵

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-(4-(4-(trifluoromethyl)pShow More⌵

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)hydrazinylidene]pentane-2,4-dione

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)hydrazinylidene]-3-oxobutaShow More⌵

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)hydrazinylidene]-3-oxobutanoatShow More⌵

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)hydrazinylidene]-3-oxobutanShow More⌵

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)hydrazinylidene]-3-oxobutanoaShow More⌵

Mol. Formula:
C12H10BrF3N2O3

M.W.:
367.12

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-oxobutanoate

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-(hydroxymethyl)isoxazol-3-yl)phenyl)-7Show More⌵

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)hydrazinylidene]-3-oxobutanoShow More⌵

Mol. Formula:
C12H10F4N2O3

M.W.:
306.21

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-dioxobutan-2-ylidene)hydrazinShow More⌵

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

ALA4855838

Name:
Methyl(2Z)-4,4,4-trifluoro-2-[2-(2-nitrophenyl)hydrazinylidene]-3-oxobutanoShow More⌵

Mol. Formula:
C11H8F3N3O5

M.W.:
319.19

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
110.90

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4855755

Name:
Ethyl(2Z)-4,4,4-trifluoro-2-[2-(4-methoxyphenyl)hydrazinylidene]-3-oxobutanShow More⌵

Mol. Formula:
C13H13F3N2O4

M.W.:
318.25

8 activity values

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
76.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4854298

Name:
Ethyl(2Z)-4,4,4-trifluoro-2-[2-(2-nitrophenyl)hydrazinylidene]-3-oxobutanoaShow More⌵

Mol. Formula:
C12H10F3N3O5

M.W.:
333.22

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
110.90

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4853742

Name:
Ethyl(2Z)-4,4,4-trifluoro-3-oxo-2-(2-phenylhydrazinylidene)butanoate

Mol. Formula:
C12H11F3N2O3

M.W.:
288.23

11 activity values