Compounds

ALA3596496

Name:
3'-(((1-benzyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)bShow More⌵

Mol. Formula:
C34H31F3N2O

M.W.:
540.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.99

Polar Surface Area:
36.26

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3596495

Name:
3'-(((1-cyclopropyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluorometShow More⌵

Mol. Formula:
C30H29F3N2O

M.W.:
490.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.96

Polar Surface Area:
36.26

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3596494

Name:
3'-(((1-isopropyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyShow More⌵

Mol. Formula:
C30H31F3N2O

M.W.:
492.59

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
36.26

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3596493

Name:
3'-(((1-ethyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biShow More⌵

Mol. Formula:
C29H29F3N2O

M.W.:
478.56

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.81

Polar Surface Area:
36.26

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3596491

Name:
5-(3-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)phenyl)piShow More⌵

Mol. Formula:
C26H24F3N3O

M.W.:
451.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
57.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3596490

Name:
6-(3-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)phenyl)niShow More⌵

Mol. Formula:
C26H24F3N3O

M.W.:
451.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
57.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3596489

Name:
3-methyl-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)bShow More⌵

Mol. Formula:
C28H27F3N2O

M.W.:
464.53

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.39

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3596488

Name:
3-chloro-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)bShow More⌵

Mol. Formula:
C27H24ClF3N2O

M.W.:
484.95

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.74

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3596487

Name:
2,3,5,6-tetrafluoro-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluShow More⌵

Mol. Formula:
C27H21F7N2O

M.W.:
522.46

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.64

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3596486

Name:
2,5-difluoro-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethShow More⌵

Mol. Formula:
C27H23F5N2O

M.W.:
486.48

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3596485

Name:
3,5-difluoro-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethShow More⌵

Mol. Formula:
C27H23F5N2O

M.W.:
486.48

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3596484

Name:
3-fluoro-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)bShow More⌵

Mol. Formula:
C27H24F4N2O

M.W.:
468.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3596482

Name:
4-(((4'-methoxy-5-(trifluoromethyl)biphenyl-3-yl)methoxy)methyl)-4-phenylpiShow More⌵

Mol. Formula:
C27H28F3NO2

M.W.:
455.52

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3596481

Name:
3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4Show More⌵

Mol. Formula:
C26H26F3NO2

M.W.:
441.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3596480

Name:
4-(((4'-ethoxy-5-(trifluoromethyl)biphenyl-3-yl)methoxy)methyl)-4-phenylpipShow More⌵

Mol. Formula:
C28H30F3NO2

M.W.:
469.55

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3596479

Name:
4-(((4'-nitro-5-(trifluoromethyl)biphenyl-3-yl)methoxy)methyl)-4-phenylpipeShow More⌵

Mol. Formula:
C26H25F3N2O3

M.W.:
470.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
64.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3596478

Name:
N,N-dimethyl-3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethShow More⌵

Mol. Formula:
C28H31F3N2O

M.W.:
468.56

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3596477

Name:
4-(((4'-methyl-5-(trifluoromethyl)biphenyl-3-yl)methoxy)methyl)-4-phenylpipShow More⌵

Mol. Formula:
C27H28F3NO

M.W.:
439.52

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.52

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3596476

Name:
4-(((4'-fluoro-5-(trifluoromethyl)biphenyl-3-yl)methoxy)methyl)-4-phenylpipShow More⌵

Mol. Formula:
C26H25F4NO

M.W.:
443.48

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3596475

Name:
methyl 3'-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)bipShow More⌵

Mol. Formula:
C28H28F3NO3

M.W.:
483.53

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS