Compounds

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3741572

Name:
1-(3-Fluoro-4-((3-(trifluoromethyl)benzyl)oxy)benz
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Mol. Formula:
C19H17F4NO3

M.W.:
383.34

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3740093

Name:
1-(4-((3,4-Dichlorobenzyl)oxy)-3-fluorobenzyl)azet
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Mol. Formula:
C18H16Cl2FNO3

M.W.:
384.23

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3741298

Name:
1-(4-((3,4-Dichlorobenzyl)oxy)-2-fluorobenzyl)azet
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Mol. Formula:
C18H16Cl2FNO3

M.W.:
384.23

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3741775

Name:
1-(4-(Benzyloxy)-3-fluorobenzyl)azetidine-3-carbox
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Mol. Formula:
C18H18FNO3

M.W.:
315.34

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3740180

Name:
1-(4-(2-(3,4-Dichlorophenyl)acetyl)benzyl)pyrrolid
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Mol. Formula:
C20H19Cl2NO3

M.W.:
392.28

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3741988

Name:
1-(4-(2-(3,4-Dichlorophenyl)acetyl)benzyl)azetidin
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Mol. Formula:
C19H17Cl2NO3

M.W.:
378.25

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3739593

Name:
1-(4-(2-Phenylacetyl)benzyl)pyrrolidine-3-carboxyl
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Mol. Formula:
C20H21NO3

M.W.:
323.39

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3740604

Name:
1-(4-(2-phenylacetyl)benzyl)azetidine-3-carboxylic
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Mol. Formula:
C19H19NO3

M.W.:
309.37

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3740964

Name:
1-(4-Heptanoylbenzyl)pyrrolidine-3-carboxylic Acid

Mol. Formula:
C19H27NO3

M.W.:
317.43

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3739887

Name:
1-(4-Heptanoylbenzyl)azetidine-3-carboxylic Acid

Mol. Formula:
C18H25NO3

M.W.:
303.40

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3741172

Name:
1-(4-Hexanoylbenzyl)pyrrolidine-3-carboxylic Acid

Mol. Formula:
C18H25NO3

M.W.:
303.40

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3740009

Name:
1-(4-Hexanoylbenzyl)azetidine-3-carboxylic Acid

Mol. Formula:
C17H23NO3

M.W.:
289.38

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3739695

Name:
1-(4-((4-Fluorobenzyl)oxy)benzyl)azetidine-3-carbo
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Mol. Formula:
C18H18FNO3

M.W.:
315.34

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3739964

Name:
1-(4-(Hexyloxy)benzyl)-3-methylpiperidine-4-carbox
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Mol. Formula:
C20H31NO3

M.W.:
333.47

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3739759

Name:
1-(4-(Hexyloxy)benzyl)piperidine-4-carboxylic Acid

Mol. Formula:
C19H29NO3

M.W.:
319.44

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3742107

Name:
(S)-1-(4-(Hexyloxy)benzyl)piperidine-3-carboxylic
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Mol. Formula:
C19H29NO3

M.W.:
319.44

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3740739

Name:
(R)-1-(4-(Hexyloxy)benzyl)piperidine-3-carboxylic
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Mol. Formula:
C19H29NO3

M.W.:
319.44

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3739509

Name:
(R)-1-(4-(Hexyloxy)benzyl)pyrrolidine-3-carboxylic
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Mol. Formula:
C18H27NO3

M.W.:
305.42

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3741459

Name:
1-(4-(Hexyloxy)benzyl)pyrrolidine-3-carboxylic Aci
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Mol. Formula:
C18H27NO3

M.W.:
305.42