Compounds

Type:
---

AlogP:
4.92

Polar Surface Area:
93.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5197410

Name:
3-(4-isopropylpyridin-2-yl)-N-(3-(trifluoromethyl)pyridin-2-yl)-1,2,4-thiadShow More⌵

Mol. Formula:
C16H14F3N5S

M.W.:
365.38

6 activity values

Type:
---

AlogP:
4.88

Polar Surface Area:
63.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5196777

Name:
3-[5-[(1-cyclopropyl-4-piperidinyl)oxy]-2-pyridyl]-N-(3-methyl-2-pyridyl)-1Show More⌵

Mol. Formula:
C21H24N6OS

M.W.:
408.53

11 activity values

5 unique targets

Type:
---

AlogP:
4.05

Polar Surface Area:
76.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5196506

Name:
N-(5-((1-methylpiperidin-4-yl)oxy)pyridin-2-yl)-3-(pyridin-2-yl)-1,2,4-thiaShow More⌵

Mol. Formula:
C18H20N6OS

M.W.:
368.47

Type:
---

AlogP:
3.21

Polar Surface Area:
76.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5205783

Name:
3-(5-isopropoxypyridin-2-yl)-N-methyl-N-(3-methylpyridin-2-yl)-1,2,4-thiadiShow More⌵

Mol. Formula:
C17H19N5OS

M.W.:
341.44

Type:
---

AlogP:
3.86

Polar Surface Area:
64.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5203952

Name:
N-(2-((3-(4-isopropoxypyridin-2-yl)-1,2,4-thiadiazol-5-yl)amino)-5-(trifluoShow More⌵

Mol. Formula:
C19H19F3N6O2S

M.W.:
452.46

Type:
---

AlogP:
4.53

Polar Surface Area:
93.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5202633

Name:
N-(2-((3-(4-isopropylpyridin-2-yl)-1,2,4-thiadiazol-5-yl)amino)-5-(trifluorShow More⌵

Mol. Formula:
C19H19F3N6OS

M.W.:
436.46

Type:
---

AlogP:
4.86

Polar Surface Area:
83.90

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5202623

Name:
3-(5-isopropoxypyrazin-2-yl)-N-(3-methyl-2-pyridyl)-1,2,4-thiadiazol-5-aminShow More⌵

Mol. Formula:
C15H16N6OS

M.W.:
328.40

Type:
---

AlogP:
3.23

Polar Surface Area:
85.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5202560

Name:
N-(3-methoxy-2-pyridyl)-3-(4-methyl-2-pyridyl)-1,2,4-thiadiazol-5-amine

Mol. Formula:
C14H13N5OS

M.W.:
299.36

Type:
---

AlogP:
3.06

Polar Surface Area:
72.82

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5202502

Name:
N2-(3-(5-isopropoxy-4-(trifluoromethyl)pyridin-2-yl)-1,2,4-thiadiazol-5-yl)Show More⌵

Mol. Formula:
C18H19F3N6OS

M.W.:
424.45

Type:
---

AlogP:
4.61

Polar Surface Area:
76.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5201958

Name:
2-((3-(5-isopropoxypyridin-2-yl)-1,2,4-thiadiazol-5-yl)amino)nicotinamide

Mol. Formula:
C16H16N6O2S

M.W.:
356.41

Type:
---

AlogP:
2.62

Polar Surface Area:
115.91

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5201868

Name:
3-(5-isopropoxy-2-pyridyl)-N-(3-isopropyl-2-pyridyl)-1,2,4-thiadiazol-5-amiShow More⌵

Mol. Formula:
C18H21N5OS

M.W.:
355.47

9 activity values

Type:
---

AlogP:
4.65

Polar Surface Area:
72.82

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5201396

Name:
N,N-dimethyl-2-(5-((3-methylpyridin-2-yl)amino)-1,2,4-thiadiazol-3-yl)isoniShow More⌵

Mol. Formula:
C16H16N6OS

M.W.:
340.41

Type:
---

AlogP:
2.75

Polar Surface Area:
83.90

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5200134

Name:
N2-(3-(5-cyclopropoxypyridin-2-yl)-1,2,4-thiadiazol-5-yl)-N3,N3-dimethylpyrShow More⌵

Mol. Formula:
C17H18N6OS

M.W.:
354.44

10 activity values

Type:
---

AlogP:
3.35

Polar Surface Area:
76.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5199506

Name:
3-(4-isopropylpyridin-2-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)-1,2,4-thiadShow More⌵

Mol. Formula:
C16H14F3N5S

M.W.:
365.38

9 activity values

Type:
---

AlogP:
4.88

Polar Surface Area:
63.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5199434

Name:
2-((3-(5-isopropoxypyridin-2-yl)-1,2,4-thiadiazol-5-yl)amino)-N,N-dimethyl-Show More⌵

Mol. Formula:
C19H19F3N6O2S

M.W.:
452.46

3 activity values

2 unique targets

Type:
---

AlogP:
4.25

Polar Surface Area:
93.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5208848

Name:
5-isopropoxy-2-(5-((3-methylpyridin-2-yl)amino)-1,2,4-thiadiazol-3-yl)isoniShow More⌵

Mol. Formula:
C17H16N6OS

M.W.:
352.42

Type:
---

AlogP:
3.71

Polar Surface Area:
96.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5207164

Name:
N-(3-methylpyridin-2-yl)-3-(5-((tetrahydro-2H-pyran-4-yl)oxy)pyridin-2-yl)-Show More⌵

Mol. Formula:
C18H19N5O3

M.W.:
353.38

4 activity values

Type:
---

AlogP:
3.14

Polar Surface Area:
95.19

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5206302

Name:
N-(5-methoxypyridin-2-yl)-3-(pyridin-2-yl)-1,2,4-thiadiazol-5-amine

Mol. Formula:
C13H11N5OS

M.W.:
285.33

8 activity values

Type:
---

AlogP:
2.75

Polar Surface Area:
72.82

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5206170

Name:
2-((3-(5-isopropoxypyridin-2-yl)-1,2,4-thiadiazol-5-yl)amino)-N,N-dimethylnShow More⌵

Mol. Formula:
C18H20N6O2S

M.W.:
384.47