Compounds

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
100.62

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA589331

Name:
N-[1-(2-Chlorobenzoyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethylShow More⌵

Mol. Formula:
C25H22ClF3N2O5S2

M.W.:
587.04

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
100.62

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA589088

Name:
N-(1-Benzoylpiperidin-4-yl)-5-(phenylsulfonyl)-2-trifluoromethyl)benzenesulShow More⌵

Mol. Formula:
C25H23F3N2O5S2

M.W.:
552.60

6 activity values

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
100.62

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA591064

Name:
4-[4-({[5-(Phenylsulfonyl)-2-(trifluoromethyl)phenyl]-sulfonyl}amino)piperiShow More⌵

Mol. Formula:
C25H23F3N2O6S2

M.W.:
568.60

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
120.85

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA591035

Name:
3-[4-({[5-(Phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)piperidShow More⌵

Mol. Formula:
C25H23F3N2O6S2

M.W.:
568.60

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
120.85

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA591301

Name:
5-(Phenylsulfonyl)-N-(1-{[3-(2H-tetrazol-5-yl)phenyl]-sulfonyl}piperidin-4-Show More⌵

Mol. Formula:
C25H23F3N6O6S3

M.W.:
656.69

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
172.15

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA592455

Name:
N-{1-[(3-Cyanophenyl)sulfonyl]piperidin-4-yl}-5-(phenylsulfonyl)-2-(trifluoShow More⌵

Mol. Formula:
C25H22F3N3O6S3

M.W.:
613.66

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
141.48

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA589363

Name:
5-(Phenylsulfonyl)-N-[1-(phenylsulfonyl)piperidin-4-yl]-2-(trifluoromethyl)Show More⌵

Mol. Formula:
C24H23F3N2O6S3

M.W.:
588.65

4 activity values

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
117.69

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA602239

Name:
N-[1-(2-Hydroxy-2-methylpropyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluShow More⌵

Mol. Formula:
C23H29F3N2O5S2

M.W.:
534.62

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
103.78

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA592692

Name:
N-[1-(2-Hydroxyethyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)Show More⌵

Mol. Formula:
C21H25F3N2O5S2

M.W.:
506.57

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
103.78

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA592691

Name:
5-Oxo-5-[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)-phenyl]sulfonyl}amino)Show More⌵

Mol. Formula:
C23H25F3N2O7S2

M.W.:
562.59

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
137.92

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA590306

Name:
3-[4-({[5-(Phenylsulfonyl)-2-(trifluoromethyl)phenyl]-sulfonyl}amino)piperiShow More⌵

Mol. Formula:
C21H23F3N2O6S2

M.W.:
520.55

6 activity values

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
120.85

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA603165

Name:
2-[4-({[5-(Phenylsulfonyl)-2-(trifluoromethyl)phenyl]-sulfonyl}amino)piperiShow More⌵

Mol. Formula:
C20H22F3N3O5S2

M.W.:
505.54

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
126.64

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA600050

Name:
tert-Butyl(3R)-3-{[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonShow More⌵

Mol. Formula:
C28H34F3N3O7S2

M.W.:
645.72

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
130.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA600049

Name:
tert-Butyl(3S)-3-{[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonShow More⌵

Mol. Formula:
C28H34F3N3O7S2

M.W.:
645.72

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
130.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA590312

Name:
tert-Butyl 4-{2-oxo-2-[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)phenyl]suShow More⌵

Mol. Formula:
C30H38F3N3O7S2

M.W.:
673.78

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
130.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA590304

Name:
tert-Butyl 4-{[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonyl}aShow More⌵

Mol. Formula:
C29H36F3N3O7S2

M.W.:
659.75

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
130.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA590478

Name:
N-{1-[(6-Morpholin-4-ylpyridin-3-yl)carbonyl]piperidin-4-yl}-5-(phenylsulfoShow More⌵

Mol. Formula:
C28H29F3N4O6S2

M.W.:
638.69

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
125.98

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA590477

Name:
5-(Phenylsulfonyl)-N-{1-[(6-pyrrolidin-1-ylpyridin-3-yl)carbonyl]piperidin-Show More⌵

Mol. Formula:
C28H29F3N4O5S2

M.W.:
622.69

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
116.75

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA589066

Name:
5-(Phenylsulfonyl)-N-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-2-(trifluoromShow More⌵

Mol. Formula:
C24H22F3N3O5S2

M.W.:
553.58