Compounds

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4876448

Name:
rac-2,5-difluoro-4-((3S,4S)-3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)pipeShow More⌵

Mol. Formula:
C24H20F7N3O3S

M.W.:
563.50

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4872687

Name:
rac-2,5-difluoro-4-((3S,4S)-3-phenyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylShow More⌵

Mol. Formula:
C23H21F5N4O3S

M.W.:
528.50

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4872374

Name:
rac-4-((3S,4S)-3-(3,4-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yShow More⌵

Mol. Formula:
C22H18F7N3O3S2

M.W.:
569.52

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
71.53

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4870820

Name:
rac-2,5-difluoro-N-(4-fluoropyridin-2-yl)-4-((3S,4S)-3-phenyl-1-(2,2,2-trifShow More⌵

Mol. Formula:
C24H21F6N3O3S

M.W.:
545.51

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4867480

Name:
rac-N-(6-chloropyridin-2-yl)-2,5-difluoro-4-((3S,4S)-3-phenyl-1-(2,2,2-trifShow More⌵

Mol. Formula:
C24H21ClF5N3O3S

M.W.:
561.96

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4867340

Name:
rac-2,5-difluoro-4-((3S,4S)-3-phenyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylShow More⌵

Mol. Formula:
C22H20F5N3O3S2

M.W.:
533.54

2 activity values

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
71.53

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4867251

Name:
rac-2,5-difluoro-4-((3S,4S)-3-phenyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylShow More⌵

Mol. Formula:
C21H19F5N4O3S2

M.W.:
534.53

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
84.42

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4865860

Name:
rac-2,5-difluoro-4-((3S,4S)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pipeShow More⌵

Mol. Formula:
C24H20F7N3O3S

M.W.:
563.50

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4865549

Name:
rac-2,5-difluoro-N-(6-fluoropyridin-2-yl)-4-((3S,4S)-3-(3-(methylsulfonyl)pShow More⌵

Mol. Formula:
C25H23F6N3O5S2

M.W.:
623.60

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
105.67

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4864812

Name:
rac-4-((3S,4S)-3-(3,4-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yShow More⌵

Mol. Formula:
C24H18F9N3O3S

M.W.:
599.48

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4863596

Name:
rac-2,5-difluoro-N-(3-fluoropyridin-2-yl)-4-((3S,4S)-3-phenyl-1-(2,2,2-trifShow More⌵

Mol. Formula:
C24H21F6N3O3S

M.W.:
545.51

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4863095

Name:
rac-4-((3S,4S)-3-(3,4-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yShow More⌵

Mol. Formula:
C24H19F8N3O3S

M.W.:
581.49

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4862578

Name:
rac-2,5-difluoro-4-((3S,4S)-3-phenyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylShow More⌵

Mol. Formula:
C23H21F5N4O3S

M.W.:
528.50

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4862429

Name:
rac-4-((3S,4S)-3-(3-cyanophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yloxy)Show More⌵

Mol. Formula:
C25H20F6N4O3S

M.W.:
570.52

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
95.32

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4860097

Name:
rac-4-((3S,4S)-3-(2,4-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yShow More⌵

Mol. Formula:
C24H19F8N3O3S

M.W.:
581.49

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4859414

Name:
rac-2,5-difluoro-N-(6-fluoropyridin-2-yl)-4-((3S,4S)-3-phenyl-1-(2,2,2-trifShow More⌵

Mol. Formula:
C24H21F6N3O3S

M.W.:
545.51

9 activity values

3 unique targets

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4857167

Name:
rac-2,5-difluoro-N-(5-fluoropyridin-2-yl)-4-((3S,4S)-3-phenyl-1-(2,2,2-trifShow More⌵

Mol. Formula:
C24H21F6N3O3S

M.W.:
545.51

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4855375

Name:
rac-2,5-difluoro-4-((3S,4S)-3-phenyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylShow More⌵

Mol. Formula:
C25H21F8N3O3S

M.W.:
595.51