Compounds

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4647885

Name:
rac-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C25H18F2N8

M.W.:
468.47

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4647791

Name:
rac-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C25H14F2N8

M.W.:
464.44

62 activity values

11 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
108.96

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4646376

Name:
4-(1-(8-chloroquinolin-4-yl)-4-(4H-1,2,4-triazol-3-yl)-1H-benzo[d]imidazol-Show More⌵

Mol. Formula:
C22H18ClN7O

M.W.:
431.89

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
84.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4643981

Name:
rac-4-(6-(2-chloropyridin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzoShow More⌵

Mol. Formula:
C24H14ClF2N7

M.W.:
473.87

Type:
Unknown

AlogP:
5.66

Polar Surface Area:
85.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4643832

Name:
rac-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C25H18F2N8

M.W.:
468.47

4 activity values

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4641819

Name:
rac-3-chloro-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-Show More⌵

Mol. Formula:
C24H15ClF2N8

M.W.:
488.89

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4639367

Name:
rac-5,8-difluoro-4-(2-methyl-6-(6-methylpyrimidin-4-yl)-4-(4H-1,2,4-triazolShow More⌵

Mol. Formula:
C24H16F2N8

M.W.:
454.44

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
98.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4639252

Name:
(P)-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C24H16F2N8

M.W.:
454.44

20 activity values

8 unique targets

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4639049

Name:
rac-5,8-difluoro-4-(2-methyl-6-(2-methylpyrimidin-4-yl)-4-(4H-1,2,4-triazolShow More⌵

Mol. Formula:
C24H16F2N8

M.W.:
454.44

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
98.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4637136

Name:
(P)-5,8-difluoro-4-(2-methyl-6-(2-methylpyridin-4-yl)-4-(4H-1,2,4-triazol-3Show More⌵

Mol. Formula:
C25H17F2N7

M.W.:
453.46

18 activity values

8 unique targets

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
85.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4636419

Name:
rac-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C25H17F3N8

M.W.:
486.46

4 activity values

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
97.20

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4634912

Name:
8-chloro-4-(6-(pyridin-4-yl)-4-(4H-1,2,4-triazol-3-yl)-1H-benzo[d]imidazol-Show More⌵

Mol. Formula:
C23H14ClN7

M.W.:
423.87

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
85.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4634167

Name:
(P)-5,8-difluoro-4-(2-methyl-6-(pyridin-4-yl)-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C24H15F2N7

M.W.:
439.43

18 activity values

8 unique targets

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
85.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4634032

Name:
rac-4-(1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-Show More⌵

Mol. Formula:
C24H14F4N8

M.W.:
490.42

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4632733

Name:
rac-4-(6-(2-(difluoromethyl)pyridin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-ylShow More⌵

Mol. Formula:
C25H15F4N7

M.W.:
489.44

Type:
Unknown

AlogP:
5.95

Polar Surface Area:
85.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4591768

Name:
N-[1-[4-[2-(Difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyShow More⌵

Mol. Formula:
C23H31F2N9O4S

M.W.:
567.62

Type:
Unknown

AlogP:
0.66

Polar Surface Area:
130.84

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4591086

Name:
N-[1-[4-[2-(Difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyShow More⌵

Mol. Formula:
C26H37F2N9O4S

M.W.:
609.70

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
122.05

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4589428

Name:
N-[1-[4-[2-(Difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyShow More⌵

Mol. Formula:
C27H39F2N9O4S

M.W.:
623.73

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
122.05

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4589172

Name:
4-[2-(Difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-N-[1-(methylsulfonyl)Show More⌵

Mol. Formula:
C29H41F2N9O5S

M.W.:
665.77