Compounds

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4796025

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-2,10-diaza-1(Show More⌵

Mol. Formula:
C22H18F6N6

M.W.:
480.42

9 activity values

Type:
Unknown

AlogP:
6.02

Polar Surface Area:
75.62

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4793042

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-4-oxa-2,11-diShow More⌵

Mol. Formula:
C22H20F6N6O

M.W.:
498.43

8 activity values

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4790929

Name:
2-Methyl-1((4-(phenylamino)-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazShow More⌵

Mol. Formula:
C19H19F3N6O

M.W.:
404.40

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
95.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4790341

Name:
3(5)-Chloro-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-8-oxa-2,11-diaza-1(2,4)-Show More⌵

Mol. Formula:
C21H18ClF3N6O

M.W.:
462.86

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4788410

Name:
2-Methyl-1((4-(pyridin-4-ylamino)-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5Show More⌵

Mol. Formula:
C18H18F3N7O

M.W.:
405.38

6 activity values

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
108.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4786533

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-4-oxa-2,10-diShow More⌵

Mol. Formula:
C21H18F6N6O

M.W.:
484.40

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4786020

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-4-oxa-2,11-diShow More⌵

Mol. Formula:
C22H18F6N6O

M.W.:
496.42

Type:
Unknown

AlogP:
5.86

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4784579

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trilluoromethyl)pyridin-2-yl)-2,5,10-triazaShow More⌵

Mol. Formula:
C21H17F6N7O

M.W.:
497.40

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
104.72

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4783076

Name:
3(5)-Fluoro-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-8-oxa-2,11-diaza-1(2,4)-Show More⌵

Mol. Formula:
C21H20F4N6O

M.W.:
448.42

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4782130

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-5-oxa-2,11-diShow More⌵

Mol. Formula:
C22H18F6N6O2

M.W.:
512.41

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
101.92

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4782070

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-2,11-diaza-1(Show More⌵

Mol. Formula:
C23H22F6N6

M.W.:
496.46

Type:
Unknown

AlogP:
6.63

Polar Surface Area:
75.62

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4781074

Name:
3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-2,12-diaza-1(Show More⌵

Mol. Formula:
C24H22F6N6

M.W.:
508.47

Type:
Unknown

AlogP:
6.80

Polar Surface Area:
75.62

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4779519

Name:
3(5)-Methyl-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-8-oxa-2,11-diaza-1(2,4)-Show More⌵

Mol. Formula:
C22H21F3N6O

M.W.:
442.45

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4762400

Name:
9-Methyl-3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yl)-8-oxShow More⌵

Mol. Formula:
C23H22F6N6O

M.W.:
512.46

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4762182

Name:
9,9-Dimethyl-3(5)-(trifluoromethyl)-1(6)-(6-(trifluoromethyl)pyridin-2-yI)-Show More⌵

Mol. Formula:
C24H22F6N6O

M.W.:
524.47

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4761041

Name:
N2-(2-(allyloxy)-2-methylpropyl)-N4-phenyl-6-(6-(trifluoromethyl)pyridin-2-Show More⌵

Mol. Formula:
C22H23F3N6O

M.W.:
444.46

6 activity values

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4756939

Name:
10,10-Dimethyl-18-trifluoromethyl-5-(6-trifluoromethyl-pyridin-2-yl)-11,15-Show More⌵

Mol. Formula:
C23H22F6N6O2

M.W.:
528.46

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
94.08

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4756154

Name:
2-Methyl-1-((4-((3-(trifluoromethyl)phenyl)amino)-6-(6-(trifluoromethyl)pyrShow More⌵

Mol. Formula:
C20H18F6N6O

M.W.:
472.39

9 activity values

3 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
95.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4754521

Name:
N2-(2-(allyloxy)-2-methylpropyl)-N4-(3-(trifluoromethyl)phenyl)-6-(6-(triflShow More⌵

Mol. Formula:
C23H22F6N6O

M.W.:
512.46