Compounds

ALA4217193

Name:
4-(4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenoxy)-N-methylpicolinamide

Mol. Formula:
C18H18N4O3

M.W.:
338.37

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4216819

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenoxy)-N,N-dimethylpicoliShow More⌵

Mol. Formula:
C20H22N4O3

M.W.:
366.42

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
81.35

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4216243

Name:
N-Methyl-4-((3-methyl-2-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzo[b]tShow More⌵

Mol. Formula:
C19H13F3N4O3S

M.W.:
434.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
90.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4215952

Name:
4-((2-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzo[b]thiophen-6-yl)oxy)Show More⌵

Mol. Formula:
C21H20N4O3S

M.W.:
408.48

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
90.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4215735

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-3-methylphenoxy)-N-methylpicolinamiShow More⌵

Mol. Formula:
C19H20N4O3

M.W.:
352.39

17 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4215667

Name:
4-((6-(5-Isopropyl-1,2,4-oxadiazol-3-yl)pyridin-3-yl)oxy)-N-methylpicolinamShow More⌵

Mol. Formula:
C17H17N5O3

M.W.:
339.36

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
103.03

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4214736

Name:
N-Methyl-4-(4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenoxy)picolinamidShow More⌵

Mol. Formula:
C16H11F3N4O3

M.W.:
364.28

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4213246

Name:
N-Methyl-4-((6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl)oxy)picolinamShow More⌵

Mol. Formula:
C20H16N4O3

M.W.:
360.37

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4212210

Name:
4-(4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenoxy)-N-methylpicolinaShow More⌵

Mol. Formula:
C19H18N4O3

M.W.:
350.38

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4211792

Name:
4-(4-(5-Ethyl-1,2,4-oxadiazol-3-yl)phenoxy)-N-methylpicolinamide

Mol. Formula:
C17H16N4O3

M.W.:
324.34

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4211703

Name:
4-(3-(5-(Methoxymethyl)-1,2,4-oxadiazol-3-yl)phenoxy)-N-methylpicolinamide

Mol. Formula:
C17H16N4O4

M.W.:
340.34

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
99.37

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4211300

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)phenoxy)-N,N-dimethylpicolinamide

Mol. Formula:
C19H20N4O3

M.W.:
352.39

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
81.35

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4211277

Name:
N-Methyl-4-(4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy)picolinamide

Mol. Formula:
C16H14N4O3

M.W.:
310.31

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4210780

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenoxy)-N-methylpicolinamiShow More⌵

Mol. Formula:
C19H20N4O3

M.W.:
352.39

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4207432

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)phenoxy)-N-methylpicolinamide

Mol. Formula:
C18H18N4O3

M.W.:
338.37

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4207075

Name:
4-(3-(5-Isopropyl-1,2,4-oxadiazol-3-yl)phenoxy)-N-methylpicolinamide

Mol. Formula:
C18H18N4O3

M.W.:
338.37

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4206930

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy)-N,N-dimethylpiShow More⌵

Mol. Formula:
C21H24N4O3

M.W.:
380.45

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
81.35

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4206906

Name:
4-(4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy)-N-methylpicolinamide

Mol. Formula:
C18H16N4O3

M.W.:
336.35

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4206409

Name:
4-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy)-N-methylpicoliShow More⌵

Mol. Formula:
C20H22N4O3

M.W.:
366.42

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
90.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4203081

Name:
4-(4-(5-(Methoxymethyl)-1,2,4-oxadiazol-3-yl)phenoxy)-N-methylpicolinamide

Mol. Formula:
C17H16N4O4

M.W.:
340.34

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
99.37

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS