Compounds

ALA4591803

Name:
2-(2-(3,5-dichlorophenylamino)-1-(naphthalen-1-yl)-2-oxoethylthio)pyridine Show More⌵

Mol. Formula:
C23H16Cl2N2O2S

M.W.:
455.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
56.04

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4583904

Name:
4-chloro-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamoyl)benzShow More⌵

Mol. Formula:
C20H18ClN5O4S

M.W.:
459.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
130.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4579688

Name:
2-(2-(3-chloro-4-methylphenylamino)-2-oxo-1-phenylethylthio)pyridine 1-oxidShow More⌵

Mol. Formula:
C20H17ClN2O2S

M.W.:
384.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
56.04

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4572310

Name:
2-(2-(2-ethoxyphenylamino)-2-oxo-1-phenylethylthio)pyridine 1-oxide

Mol. Formula:
C21H20N2O3S

M.W.:
380.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
65.27

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4571993

Name:
2-(1-(2-chlorophenyl)-2-(3,5-dichlorophenylamino)-2-oxoethylthio)pyridine 1Show More⌵

Mol. Formula:
C19H13Cl3N2O2S

M.W.:
439.75

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
56.04

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4571927

Name:
2-(2-(3,5-bis(trifluoromethyl)phenylamino)-2-oxo-1-phenylethylthio)pyridineShow More⌵

Mol. Formula:
C21H14F6N2O2S

M.W.:
472.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
56.04

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4557612

Name:
2-chloro-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamoyl)benzShow More⌵

Mol. Formula:
C20H18ClN5O4S

M.W.:
459.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
130.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4557336

Name:
2,4-dichloro-N-(4-(N-(4,6-dimethylpyridin-2-yl)sulfamoyl)phenylcarbamoyl)beShow More⌵

Mol. Formula:
C21H18Cl2N4O4S

M.W.:
493.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
117.26

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4552666

Name:
3,4-dichloro-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamoyl)Show More⌵

Mol. Formula:
C20H17Cl2N5O4S

M.W.:
494.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
130.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4548925

Name:
3-(2-(3,5-dichlorophenylamino)-2-oxo-1-phenylethylthio)isoquinoline 2-oxide

Mol. Formula:
C23H16Cl2N2O2S

M.W.:
455.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
56.04

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4547659

Name:
2-(2-(3,5-dichlorophenylamino)-1-(4-methoxyphenyl)-2-oxoethylthio)pyridine Show More⌵

Mol. Formula:
C20H16Cl2N2O3S

M.W.:
435.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
65.27

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4537772

Name:
N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamothioyl)benzamide

Mol. Formula:
C20H19N5O3S2

M.W.:
441.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.02

Polar Surface Area:
113.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4531862

Name:
N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamothioyl)-4-fluoroShow More⌵

Mol. Formula:
C20H18FN5O3S2

M.W.:
459.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
113.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4531280

Name:
2-(2-(3,5-dichlorophenylamino)-1-(naphthalen-2-yl)-2-oxoethylthio)pyridine Show More⌵

Mol. Formula:
C23H16Cl2N2O2S

M.W.:
455.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
56.04

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4527673

Name:
2,4-dichloro-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamothiShow More⌵

Mol. Formula:
C20H17Cl2N5O3S2

M.W.:
510.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
113.08

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4521758

Name:
2-(2-(3,5-dichlorophenylamino)-1-(2-methoxyphenyl)-2-oxoethylthio)pyridine Show More⌵

Mol. Formula:
C20H16Cl2N2O3S

M.W.:
435.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
65.27

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4521682

Name:
2,4-dichloro-N-(4-(N-(3,5-dimethylphenyl)sulfamoyl)phenylcarbamoyl)benzamidShow More⌵

Mol. Formula:
C22H19Cl2N3O4S

M.W.:
492.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.37

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4521394

Name:
2-(2-(3-chloro-4-methoxyphenylamino)-2-oxo-1-phenylethylthio)pyridine 1-oxiShow More⌵

Mol. Formula:
C20H17ClN2O3S

M.W.:
400.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
65.27

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4519990

Name:
2,4-dichloro-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)(methyl)Show More⌵

Mol. Formula:
C21H19Cl2N5O4S

M.W.:
508.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
121.36

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4519651

Name:
2-(2-(2-methoxyphenylamino)-2-oxo-1-phenylethylthio)pyridine 1-oxide

Mol. Formula:
C20H18N2O3S

M.W.:
366.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
65.27

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS