Compounds

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1215884

Name:
3-Hydroxy-8-(trifluoromethyl)-2-(1-(3-(trifluoromethyl)phenyl)-cyclopropyl)Show More⌵

Mol. Formula:
C21H13F6NO3

M.W.:
441.33

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1215875

Name:
3-Hydroxy-2-(1-(4-methoxyphenyl)cyclopropyl)-8-(trifluoromethyl)quinoline-4Show More⌵

Mol. Formula:
C21H16F3NO4

M.W.:
403.36

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
79.65

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1215874

Name:
3-Hydroxy-2-(1-(4-(trifluoromethoxy)phenyl)cyclopropyl)-8-(trifluoromethyl)Show More⌵

Mol. Formula:
C21H13F6NO4

M.W.:
457.33

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
79.65

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1215872

Name:
2-(1-(3-Chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethyl)quinoline-4-Show More⌵

Mol. Formula:
C20H13ClF3NO3

M.W.:
407.77

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1215871

Name:
2-(1,2-Dihydrocyclobutabenzen-1-yl)-3-hydroxy-8-(trifluoromethyl)quinoline-Show More⌵

Mol. Formula:
C19H12F3NO3

M.W.:
359.30

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1215866

Name:
3-Hydroxy-2-(1-(thiophen-3-yl)cyclopropyl)-8-(trifluoromethyl)-quinoline-4-Show More⌵

Mol. Formula:
C18H12F3NO3S

M.W.:
379.36

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
70.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1215865

Name:
3-Hydroxy-2-(1-(thiophen-2-yl)cyclopropyl)-8-(trifluoromethyl)-quinoline-4-Show More⌵

Mol. Formula:
C18H12F3NO3S

M.W.:
379.36

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
70.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1215864

Name:
2-[1-(4-Chloro-phenyl)-2-methyl-propyl]-3-hydroxy-8-trifluoromethyl-quinoliShow More⌵

Mol. Formula:
C21H17ClF3NO3

M.W.:
423.82

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1215863

Name:
2-(1-(4-Chlorophenyl)cyclobutyl)-3-hydroxy-8-(trifluoromethyl)-quinoline-4-Show More⌵

Mol. Formula:
C21H15ClF3NO3

M.W.:
421.80

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1215854

Name:
3-Hydroxy-2-(2-phenylpropyl)-8-(trifluoromethyl)quinoline-4-carboxylic Acid

Mol. Formula:
C20H16F3NO3

M.W.:
375.35

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1215853

Name:
3-Hydroxy-2-(1-phenylpropan-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylicShow More⌵

Mol. Formula:
C20H16F3NO3

M.W.:
375.35

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1215850

Name:
3-Hydroxy-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylicShow More⌵

Mol. Formula:
C20H14F3NO3

M.W.:
373.33

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1215809

Name:
3-Hydroxy-2-(2-methyl-1-phenylpropyl)-8-(trifluoromethyl)-quinoline-4-carboShow More⌵

Mol. Formula:
C21H18F3NO3

M.W.:
389.37

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1215808

Name:
3-Hydroxy-2-(1-phenylpropyl)-8-(trifluoromethyl)quinoline-4-carboxylic Acid

Mol. Formula:
C20H16F3NO3

M.W.:
375.35

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1215807

Name:
3-Hydroxy-2-(1-phenylethyl)-8-(trifluoromethyl)quinoline-4-carboxylic Acid

Mol. Formula:
C19H14F3NO3

M.W.:
361.32

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA219145

Name:
2-(4-chlorophenyl)-8-fluoro-3-hydroxyquinoline-4-carboxylic acid

Mol. Formula:
C16H9ClFNO3

M.W.:
317.70

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA217919

Name:
2-(4-chlorophenyl)-3-hydroxy-5-methylquinoline-4-carboxylic acid

Mol. Formula:
C17H12ClNO3

M.W.:
313.74

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA217918

Name:
2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid

Mol. Formula:
C17H12ClNO3

M.W.:
313.74