Compounds

4 unique targets

Type:
Small molecule

AlogP:
0.25

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA2289055

Name:
N-(5-(4-(diethylamino)phenyl)-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide

Mol. Formula:
C21H24N4O3S

M.W.:
412.52

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
76.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2289054

Name:
N-(5-(biphenyl-4-yl)-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide

Mol. Formula:
C23H19N3O3S

M.W.:
417.49

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
73.34

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2289050

Name:
2,6-dimethoxy-N-(5-(4-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)benzamShow More⌵

Mol. Formula:
C18H14F3N3O3S

M.W.:
409.39

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
73.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289049

Name:
N-(5-(4-iodophenyl)-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide

Mol. Formula:
C17H14IN3O3S

M.W.:
467.29

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
73.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2289047

Name:
N-(5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide

Mol. Formula:
C21H23N3O3S

M.W.:
397.50

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
73.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289046

Name:
N-(5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide

Mol. Formula:
C20H21N3O3S

M.W.:
383.47

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
73.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289043

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-(diethylamino)benzamide

Mol. Formula:
C19H19ClN4OS

M.W.:
386.91

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
58.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289042

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-ethoxybenzamide

Mol. Formula:
C17H14ClN3O2S

M.W.:
359.84

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2289041

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide

Mol. Formula:
C16H12ClN3O2S

M.W.:
345.81

2 activity values

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2289040

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide

Mol. Formula:
C16H12ClN3OS

M.W.:
329.81

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2289039

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide

Mol. Formula:
C15H9ClN4O3S

M.W.:
360.78

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
98.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2289038

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide

Mol. Formula:
C16H9ClF3N3OS

M.W.:
383.78

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2289037

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-iodobenzamide

Mol. Formula:
C15H9ClIN3OS

M.W.:
441.68

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2289036

Name:
2-bromo-N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)benzamide

Mol. Formula:
C15H9BrClN3OS

M.W.:
394.68

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2289035

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide

Mol. Formula:
C15H9Cl2N3OS

M.W.:
350.23

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2289034

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide

Mol. Formula:
C15H9ClFN3OS

M.W.:
333.78

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2289032

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2,6-dimethylbenzamide

Mol. Formula:
C17H14ClN3OS

M.W.:
343.84

2 activity values

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2289031

Name:
2,6-dichloro-N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)benzamide

Mol. Formula:
C15H8Cl3N3OS

M.W.:
384.68

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289030

Name:
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2,6-difluorobenzamide

Mol. Formula:
C15H8ClF2N3OS

M.W.:
351.76