Compounds

ALA4648842

Name:
2-((4-(3-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,Show More⌵

Mol. Formula:
C20H17ClN6OS2

M.W.:
456.98

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4648141

Name:
2-(4-(3-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)aShow More⌵

Mol. Formula:
C19H14ClN5OS2

M.W.:
427.94

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
72.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4646334

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((5-phenyl-4-(m-tolyl)-4H-1,2,4-triazolShow More⌵

Mol. Formula:
C21H20N6OS2

M.W.:
436.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4646269

Name:
2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-Show More⌵

Mol. Formula:
C20H18N6OS2

M.W.:
422.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4646105

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((4-(3-methoxyphenyl)-5-phenyl-4H-1,2,4Show More⌵

Mol. Formula:
C21H20N6O2S2

M.W.:
452.57

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
94.82

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4644772

Name:
2-(4-(3-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-ylthio)-N-(1,3,4-thiadiazShow More⌵

Mol. Formula:
C18H13ClN6OS2

M.W.:
428.93

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4644335

Name:
2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,Show More⌵

Mol. Formula:
C20H17ClN6OS2

M.W.:
456.98

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4643953

Name:
2-((4-(2-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,Show More⌵

Mol. Formula:
C20H17ClN6OS2

M.W.:
456.98

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4643941

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)aShow More⌵

Mol. Formula:
C14H14N6OS2

M.W.:
346.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
96.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4643884

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((4-(m-tolyl)-5-(p-tolyl)-4H-1,2,4-triaShow More⌵

Mol. Formula:
C22H22N6OS2

M.W.:
450.59

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4643704

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((4-(3-fluorophenyl)-5-phenyl-4H-1,2,4-Show More⌵

Mol. Formula:
C20H17FN6OS2

M.W.:
440.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4643317

Name:
2-((4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiaShow More⌵

Mol. Formula:
C14H13ClN6OS2

M.W.:
380.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4642646

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((4-(3-methylbenzyl)-5-phenyl-4H-1,2,4-Show More⌵

Mol. Formula:
C22H22N6OS2

M.W.:
450.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4642540

Name:
2-((5-(4-chlorophenyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1Show More⌵

Mol. Formula:
C21H19ClN6OS2

M.W.:
471.01

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4642410

Name:
N-(5-(methoxymethyl)-1,3,4-thiadiazol-2-yl)-2-((5-phenyl-4-(m-tolyl)-4H-1,2Show More⌵

Mol. Formula:
C21H20N6O2S2

M.W.:
452.57

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
94.82

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4642171

Name:
2-((5-benzyl-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadShow More⌵

Mol. Formula:
C22H22N6OS2

M.W.:
450.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4637483

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((5-(4-hydroxyphenyl)-4-(m-tolyl)-4H-1,Show More⌵

Mol. Formula:
C21H20N6O2S2

M.W.:
452.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
105.82

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4637115

Name:
2-(4-(3-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-ylthio)-N-(5-cyclopropyl-Show More⌵

Mol. Formula:
C21H17ClN6OS2

M.W.:
469.00

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4636685

Name:
2-((5-(4-aminophenyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,Show More⌵

Mol. Formula:
C21H21N7OS2

M.W.:
451.58

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
111.61

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4635840

Name:
2-((5-phenyl-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-propyl-1,3,4-thiaShow More⌵

Mol. Formula:
C22H22N6OS2

M.W.:
450.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS