Compounds

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3953927

Name:
2-(2-(2-(2-chloro-3-fluorophenyl)propan-2-yl)-1-(3'-fluoro-4'-(hydroxymethyShow More⌵

Mol. Formula:
C29H29ClF2N2O4S

M.W.:
575.08

23 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3945820

Name:
2-(2-(1-(2,6-dichlorophenyl)ethyl)-1-(3,3'-difluoro-4'-(hydroxymethyl)-5'-(Show More⌵

Mol. Formula:
C28H26Cl2F2N2O4S

M.W.:
595.50

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

XL041

Name:
BMS-852927

Mol. Formula:
C29H28Cl2F2N2O4S

M.W.:
609.52

35 activity values

12 unique targets

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3941775

Name:
2-(1-(3-chloro-3'-fluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)biphenyl-4-yShow More⌵

Mol. Formula:
C29H30F2N2O4S

M.W.:
540.63

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3935187

Name:
2-(2-(2-(2,6-dichlorophenyl)propan-2-yl)-1-(3'-fluoro-4'-(hydroxymethyl)-5'Show More⌵

Mol. Formula:
C29H29Cl2FN2O4S

M.W.:
591.53

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3926292

Name:
2-(2-(2-(2-Chlorophenyl)propan-2-yl)-1-(3,3'-difluoro-4'-hydroxymethyl-5'-(Show More⌵

Mol. Formula:
C29H29ClF2N2O4S

M.W.:
575.08

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3917300

Name:
2-(2-(2-(2-chloro-6-fluorophenyl)propan-2-yl)-1-(3,3'-difluoro-4'-(hydroxymShow More⌵

Mol. Formula:
C29H28ClF3N2O4S

M.W.:
593.07

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3910597

Name:
2-(1-(3-chloro-3'-fluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)biphenyl-4-yShow More⌵

Mol. Formula:
C29H28Cl3FN2O4S

M.W.:
625.98

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
92.42

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3609571

Name:
2-(4'-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)biphenyl-4-yl)aShow More⌵

Mol. Formula:
C27H25F3O5

M.W.:
486.49

Type:
Small molecule

AlogP:
6.53

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3609570

Name:
2-(4'-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)biphenyl-3-yl)aShow More⌵

Mol. Formula:
C27H25F3O5

M.W.:
486.49

Type:
Small molecule

AlogP:
6.53

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3609369

Name:
4'-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)biphenyl-4-carboxyShow More⌵

Mol. Formula:
C26H23F3O5

M.W.:
472.46

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3609368

Name:
4'-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)biphenyl-3-carboxyShow More⌵

Mol. Formula:
C26H23F3O5

M.W.:
472.46

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3609367

Name:
4-((4-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)phenyl)(methyl)Show More⌵

Mol. Formula:
C24H26F3NO6

M.W.:
481.47

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
93.14

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3609366

Name:
6-(4-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)phenyl)hexanoic Show More⌵

Mol. Formula:
C25H29F3O5

M.W.:
466.50

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3609365

Name:
5-(4-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)phenyl)pentanoicShow More⌵

Mol. Formula:
C24H27F3O5

M.W.:
452.47

Type:
Small molecule

AlogP:
6.04

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3609364

Name:
4-(4-(2-(tert-butoxycarbonyl)-4-(trifluoromethyl)benzyloxy)phenyl)butanoic Show More⌵

Mol. Formula:
C23H25F3O5

M.W.:
438.44