Compounds

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1099317

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(2-hydro
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Mol. Formula:
C19H22Cl2N2O2S

M.W.:
413.37

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1098744

Name:
{2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyl
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Mol. Formula:
C20H22Cl2N2O3S

M.W.:
441.38

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1098743

Name:
{2-[3-cyclopentyl-2-(3,4-dichlorophenyl)-propionyl
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Mol. Formula:
C19H20Cl2N2O3S

M.W.:
427.35

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1098742

Name:
2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C21H24Cl2N2O3S

M.W.:
455.41

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1094766

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-hydroxym
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Mol. Formula:
C18H20Cl2N2O2S

M.W.:
399.34

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1094765

Name:
2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C19H20Cl2N2O3S

M.W.:
427.35

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1096055

Name:
2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C18H18Cl2N2O3S

M.W.:
413.33

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1096054

Name:
2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C20H22Cl2N2O3S

M.W.:
441.38

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1098973

Name:
2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C18H18Cl2N2O3S

M.W.:
413.33

2 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1097730

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(4-hydroxym
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Mol. Formula:
C18H20Cl2N2O2S

M.W.:
399.34

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1097400

Name:
2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C19H20Cl2N2O3S

M.W.:
427.35

2 unique targets

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1097399

Name:
2-[3-cyclopentyl-2-(3,4-dichlorophenyl)-propionyla
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Mol. Formula:
C20H22Cl2N2O3S

M.W.:
441.38

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1098646

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(4,5-dimeth
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Mol. Formula:
C19H22Cl2N2OS

M.W.:
397.37

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1099066

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-t
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Mol. Formula:
C18H20Cl2N2OS

M.W.:
383.34

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1094752

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(4-methyl-t
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Mol. Formula:
C18H20Cl2N2OS

M.W.:
383.34

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1094751

Name:
2-(3,4-Dichloro-phenyl)-3-phenyl-N-thiazol-2-yl-pr
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Mol. Formula:
C18H14Cl2N2OS

M.W.:
377.30

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1094750

Name:
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-thiazol-2-y
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Mol. Formula:
C17H18Cl2N2OS

M.W.:
369.32

2 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1094749

Name:
1-[3-Cyclopentyl-2(S)-(3,4-dichloro-phenyl)-propio
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Mol. Formula:
C16H20Cl2N2O2

M.W.:
343.25