Compounds

ALA4593922

Name:
N-(3-(5-chlorobenzo[d]oxazol-2-yl)phenylcarbamothioyl)-2-fluorobenzamide

Mol. Formula:
C21H13ClFN3O2S

M.W.:
425.87

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4593807

Name:
4-bromo-N-(5-methylpyridin-2-ylcarbamothioyl)benzamide

Mol. Formula:
C14H12BrN3OS

M.W.:
350.24

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4579674

Name:
4-methyl-N-(3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C23H19N3O2S

M.W.:
401.49

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4577850

Name:
4-methyl-N-(m-tolylcarbamothioyl)benzamide

Mol. Formula:
C16H16N2OS

M.W.:
284.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4577144

Name:
N-(4-chloro-3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)-4-ethylbenzShow More⌵

Mol. Formula:
C24H20ClN3O2S

M.W.:
449.96

3 activity values

2 unique targets

Type:
Unknown

AlogP:
6.15

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4542577

Name:
4-bromo-N-(4-chloro-3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzShow More⌵

Mol. Formula:
C22H15BrClN3O2S

M.W.:
500.81

3 activity values

2 unique targets

Type:
Unknown

AlogP:
6.35

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4538764

Name:
N-(3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C22H17N3O2S

M.W.:
387.46

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4535650

Name:
N-(3-(benzo[d]oxazol-2-yl)phenylcarbamothioyl)-4-methoxybenzamide

Mol. Formula:
C22H17N3O3S

M.W.:
403.46

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
76.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4519826

Name:
4-bromo-N-(3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C22H16BrN3O2S

M.W.:
466.36

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4515791

Name:
4-methyl-N-(5-methylpyridin-2-ylcarbamothioyl)benzamide

Mol. Formula:
C15H15N3OS

M.W.:
285.37

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA4483458

Name:
N-(3-(benzo[d]oxazol-2-yl)phenylcarbamothioyl)-4-methylbenzamide

Mol. Formula:
C22H17N3O2S

M.W.:
387.46

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4475181

Name:
4-methoxy-N-(3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C23H19N3O3S

M.W.:
417.49

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
76.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4472684

Name:
N-(3-(benzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C21H15N3O2S

M.W.:
373.44

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4471878

Name:
4-tert-butyl-N-(4-chloro-3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioylShow More⌵

Mol. Formula:
C26H24ClN3O2S

M.W.:
478.02

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.88

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4462328

Name:
N-(4-chloro-3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)-4-methylbenShow More⌵

Mol. Formula:
C23H18ClN3O2S

M.W.:
435.94

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4460074

Name:
4-bromo-N-(3-(5-chlorobenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C21H13BrClN3O2S

M.W.:
486.78

3 activity values

2 unique targets

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4458682

Name:
N-(3-(benzo[d]oxazol-2-yl)phenylcarbamothioyl)-4-bromobenzamide

Mol. Formula:
C21H14BrN3O2S

M.W.:
452.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4457682

Name:
4-methyl-N-(thiazol-2-ylcarbamothioyl)benzamide

Mol. Formula:
C12H11N3OS2

M.W.:
277.37

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
54.02

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4455043

Name:
N-(4-chloro-3-(5-methylbenzo[d]oxazol-2-yl)phenylcarbamothioyl)benzamide

Mol. Formula:
C22H16ClN3O2S

M.W.:
421.91

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4452217

Name:
N-(3-(5-chlorobenzo[d]oxazol-2-yl)phenylcarbamothioyl)-4-methylbenzamide

Mol. Formula:
C22H16ClN3O2S

M.W.:
421.91

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS