Compounds

ALA5266739

Name:
5-(4-chlorophenyl)-N-(3-(piperidin-1-ylsulfonyl)phenyl)-1H-pyrazole-4-carboShow More⌵

Mol. Formula:
C21H21ClN4O3S

M.W.:
444.94

Type:
---

AlogP:
4.16

Polar Surface Area:
95.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5282512

Name:
N-(3-(cyclopentylsulfonyl)phenyl)-2-(piperidin-1-yl)nicotinamide

Mol. Formula:
C22H27N3O3S

M.W.:
413.54

Type:
---

AlogP:
4.04

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5282084

Name:
N-(3-(cyclopentylsulfonyl)phenyl)-2-(4,4-difluoropiperidin-1-yl)nicotinamidShow More⌵

Mol. Formula:
C22H25F2N3O3S

M.W.:
449.52

Type:
---

AlogP:
4.29

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5279604

Name:
N-(6-(N-cyclopentylsulfamoyl)pyridin-2-yl)-4-((1-hydroxy-2-methylpropan-2-yShow More⌵

Mol. Formula:
C28H39N5O4S

M.W.:
541.72

Type:
---

AlogP:
4.12

Polar Surface Area:
123.66

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5278809

Name:
N-(6-(N-(tert-butyl)sulfamoyl)pyridin-2-yl)-4-((1-hydroxy-2-methylpropan-2-Show More⌵

Mol. Formula:
C27H39N5O4S

M.W.:
529.71

Type:
---

AlogP:
3.97

Polar Surface Area:
123.66

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5276935

Name:
N-(6-(cyclopentylsulfonyl)pyridin-2-yl)-4-((2-hydroxyethyl)(methyl)amino)-2Show More⌵

Mol. Formula:
C27H36N4O4S

M.W.:
512.68

Type:
---

AlogP:
3.86

Polar Surface Area:
102.84

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5276902

Name:
N-(6-(cyclopentylsulfonyl)pyridin-2-yl)-4-((2-hydroxy-2-methylpropyl)amino)Show More⌵

Mol. Formula:
C28H38N4O4S

M.W.:
526.70

Type:
---

AlogP:
4.61

Polar Surface Area:
111.63

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5274941

Name:
N-(3-((1-hydroxy-2-methylpropan-2-yl)sulfonyl)phenyl)-2-(6-azaspiro[2.5]octShow More⌵

Mol. Formula:
C23H29N3O4S

M.W.:
443.57

Type:
---

AlogP:
3.26

Polar Surface Area:
99.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5273486

Name:
N-(3-(isopropylsulfonyl)phenyl)-2-(6-azaspiro[2.5]octan-6-yl)nicotinamide

Mol. Formula:
C22H27N3O3S

M.W.:
413.54

Type:
---

AlogP:
3.90

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5289941

Name:
6-(2-hydroxyethylsulfonamido)-2-(6-azaspiro[2.5]octan-6-yl)-N-(3-(3-(trifluShow More⌵

Mol. Formula:
C23H25F3N6O4S

M.W.:
538.55

Type:
---

AlogP:
3.63

Polar Surface Area:
136.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5288088

Name:
N-(6-(cyclopentylsulfonyl)pyridin-2-yl)-4-((2-hydroxyethyl)amino)-2-(6-azasShow More⌵

Mol. Formula:
C26H34N4O4S

M.W.:
498.65

Type:
---

AlogP:
3.83

Polar Surface Area:
111.63

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5287687

Name:
N-(3-(cyclopentylsulfonyl)phenyl)-2-(4,4-dimethylpiperidin-1-yl)nicotinamidShow More⌵

Mol. Formula:
C24H31N3O3S

M.W.:
441.60

Type:
---

AlogP:
4.68

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5287302

Name:
(S)-6-((1,3-dihydroxypropan-2-yl)amino)-2-(6-azaspiro[2.5]octan-6-yl)-N-(3-Show More⌵

Mol. Formula:
C25H32F3N5O5S

M.W.:
571.62

Type:
---

AlogP:
2.71

Polar Surface Area:
143.89

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5287177

Name:
N-(6-(N-(tert-butyl)sulfamoyl)pyridin-2-yl)-5-(methylsulfonamido)-3-(6-azasShow More⌵

Mol. Formula:
C22H31N7O5S2

M.W.:
537.67

Type:
---

AlogP:
1.95

Polar Surface Area:
163.35

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5285875

Name:
N-(3-(oxetan-3-ylsulfonyl)phenyl)-2-(6-azaspiro[2.5]octan-6-yl)nicotinamide

Mol. Formula:
C22H25N3O4S

M.W.:
427.53

Type:
---

AlogP:
2.89

Polar Surface Area:
88.60

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5284647

Name:
N-(6-(cyclopentylsulfonyl)pyridin-2-yl)-4-methoxy-2-(6-azaspiro[2.5]octan-6Show More⌵

Mol. Formula:
C25H31N3O4S

M.W.:
469.61

Type:
---

AlogP:
4.44

Polar Surface Area:
88.60

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5267992

Name:
N-(3-(pyrrolidin-1-ylsulfonyl)phenyl)-2-(6-azaspiro[2.5]octan-6-yl)nicotinaShow More⌵

Mol. Formula:
C23H28N4O3S

M.W.:
440.57

Type:
---

AlogP:
3.50

Polar Surface Area:
82.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5270982

Name:
N-(6-(N-(tert-butyl)sulfamoyl)pyridin-2-yl)-4-((1-(hydroxymethyl)cyclopropyShow More⌵

Mol. Formula:
C27H37N5O4S

M.W.:
527.69

Type:
---

AlogP:
3.73

Polar Surface Area:
123.66

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5094911

Name:
(R)-4-(ethylsulfonamido)-N-(4-methyl-6-(2-methylmorpholino)pyridin-2-yl)-2-Show More⌵

Mol. Formula:
C27H37N5O4S

M.W.:
527.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
103.87

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5094909

Name:
4-((R)-2-hydroxy-1-methylethylsulfonamido)-N-(2-((R)-2-methylmorpholino)pyrShow More⌵

Mol. Formula:
C26H36N6O5S

M.W.:
544.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
136.99

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS