Compounds

ALA4749629

Name:
2-(((2-(4-chlorophenyl)-1H-indol-3-yl)methylene)hydrazono)-3-(furan-2-ylmetShow More⌵

Mol. Formula:
C23H17ClN4O2S

M.W.:
448.94

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
73.96

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4594089

Name:
2-{[2-(4-Chlorophenyl)-1H-indol-3-ylmethylene]hydrazono}-3-furan-2-ylmethylShow More⌵

Mol. Formula:
C23H17ClN4O2S

M.W.:
448.94

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
73.96

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4590501

Name:
5-Ethyl-2-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethylene)hShow More⌵

Mol. Formula:
C18H18N6OS2

M.W.:
398.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
84.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4589280

Name:
2-[(2-Allylsulfanyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethylene)hShow More⌵

Mol. Formula:
C23H18N6O2S3

M.W.:
506.64

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
95.45

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4587856

Name:
4-[2-{[2-Ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-ylmethyleShow More⌵

Mol. Formula:
C28H20N8O5S2

M.W.:
612.65

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.00

Polar Surface Area:
166.35

HBA:
13

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4586951

Name:
4-(4-(4-Bromophenyl)-2-{[2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiaShow More⌵

Mol. Formula:
C28H20BrN7O3S2

M.W.:
646.55

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.85

Polar Surface Area:
123.21

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4584106

Name:
5-Methyl-2-[(2-phenyl-1H-indol-3-yl-methylene)hydrazono]thiazolidin-4-one

Mol. Formula:
C19H16N4OS

M.W.:
348.43

9 activity values

6 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
69.61

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4583582

Name:
2-[(2-Allylsulfanyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethylene)hShow More⌵

Mol. Formula:
C24H20N6O2S3

M.W.:
520.67

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
95.45

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4583350

Name:
N-[6-(4-Bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethylene]-Show More⌵

Mol. Formula:
C22H16BrN7O2S2

M.W.:
554.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
113.84

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4581980

Name:
5-Methyl-2-{[2-(4-nitrophenyl)-1H-indol-3-ylmethylene]hydrazono}thiazolidinShow More⌵

Mol. Formula:
C19H15N5O3S

M.W.:
393.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
112.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4581431

Name:
Acetic acid 2-{2-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethShow More⌵

Mol. Formula:
C20H20N6O3S2

M.W.:
456.55

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
110.31

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4575536

Name:
Acetic acid 2-(2-{[2-(4-bromophenyl)-1H-indol-3-ylmethylene]hydrazono}-4-oxShow More⌵

Mol. Formula:
C22H19BrN4O3S

M.W.:
499.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4575534

Name:
5-Ethyl-2-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethylene)hShow More⌵

Mol. Formula:
C24H22N6O2S2

M.W.:
490.61

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
95.45

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4575070

Name:
2-{[2-(4-Chlorophenyl)-1H-indol-3-ylmethylene]hydrazono}-3-(furan-2-ylmethyShow More⌵

Mol. Formula:
C25H21ClN4O3S

M.W.:
492.99

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
94.19

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4574851

Name:
Acetic acid 2-(2-{[6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazolShow More⌵

Mol. Formula:
C20H19BrN6O3S2

M.W.:
535.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
110.31

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4573628

Name:
2-[(2-Phenyl-1H-indol-3-ylmethylene)hydrazono]thiazolidin-4-one

Mol. Formula:
C18H14N4OS

M.W.:
334.40

8 activity values

6 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
69.61

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4570275

Name:
Acetic acid 2-(2-{[2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazolShow More⌵

Mol. Formula:
C20H19N7O5S2

M.W.:
501.55

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
153.45

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4569425

Name:
2-[(2-Allylsulfanyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-ylmethylene)hShow More⌵

Mol. Formula:
C25H22N6O2S3

M.W.:
534.69

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
95.45

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4566659

Name:
5-Ethyl-2-{[2-(4-nitrophenyl)-1H-indol-3-yl-methylene]hydrazono}thiazolidinShow More⌵

Mol. Formula:
C20H17N5O3S

M.W.:
407.46

6 activity values

5 unique targets

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
112.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4565171

Name:
N1-(2-Ethyl-6-(4-bromophenyl)imidazo[2,1-b]-1,3,4-thiadiazole-5-ylmethylideShow More⌵

Mol. Formula:
C14H13BrN6S2

M.W.:
409.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
80.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS