Compounds

Type:
Unknown

AlogP:
6.40

Polar Surface Area:
66.49

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4177505

Name:
4'-(Naphthalen-1-yloxymethyl)-5-trifluoromethyl-bi
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Mol. Formula:
C32H25F4NO3S

M.W.:
579.62

Type:
Small molecule

AlogP:
7.76

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4174135

Name:
3'-(Pyrrolidine-1-sulfonyl)-5-trifluoromethyl-biph
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Mol. Formula:
C25H24F4N2O4S2

M.W.:
556.60

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4173923

Name:
3-(2,4-Dimethoxy-pyrimidin-5-yl)-N-[2-(3-fluoro-ph
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Mol. Formula:
C21H19F4N3O4S

M.W.:
485.46

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
90.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4173505

Name:
4'-Fluoro-3'-methoxy-5-trifluoromethyl-biphenyl-3-
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Mol. Formula:
C22H18F5NO3S

M.W.:
471.45

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4173450

Name:
N-[2-(3-Fluoro-phenyl)-ethyl]-3-(1H-indol-2-yl)-5-
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Mol. Formula:
C23H18F4N2O2S

M.W.:
462.47

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
61.96

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4173044

Name:
N-[2-(3-Fluoro-phenyl)-ethyl]-3-thianthren-1-yl-5-
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Mol. Formula:
C27H19F4NO2S3

M.W.:
561.65

Type:
Small molecule

AlogP:
7.65

Polar Surface Area:
46.17

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4171519

Name:
N-[2-(3-Fluoro-phenyl)-ethyl]-3-(2-fluoro-pyridin-
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Mol. Formula:
C20H15F5N2O2S

M.W.:
442.41

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4170711

Name:
N-[2-(3-Fluoro-phenyl)-ethyl]-3-(6-fluoro-pyridin-
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Mol. Formula:
C20H15F5N2O2S

M.W.:
442.41

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4170062

Name:
N-[2-(3-Fluoro-phenyl)-ethyl]-3-pyridin-3-yl-5-tri
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Mol. Formula:
C20H16F4N2O2S

M.W.:
424.42

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4169644

Name:
3-Dibenzofuran-4-yl-N-[2-(3-fluoro-phenyl)-ethyl]-
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Mol. Formula:
C27H19F4NO3S

M.W.:
513.51

Type:
Small molecule

AlogP:
6.93

Polar Surface Area:
59.31

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4169245

Name:
5-Trifluoromethyl-2'-(3-trifluoromethyl-phenoxymet
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Mol. Formula:
C29H22F7NO3S

M.W.:
597.55

Type:
Small molecule

AlogP:
7.63

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4168421

Name:
5-{3-[2-(3-Fluoro-phenyl)-ethylsulfamoyl]-5-triflu
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Mol. Formula:
C22H18F4N2O4S

M.W.:
482.46

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
85.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4166224

Name:
N-[2-(3-Fluoro-phenyl)-ethyl]-3-(5-formyl-thiophen
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Mol. Formula:
C20H15F4NO3S2

M.W.:
457.47

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
63.24

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4165578

Name:
5'-Fluoro-2'-methoxy-5-trifluoromethyl-biphenyl-3-
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Mol. Formula:
C22H18F5NO3S

M.W.:
471.45

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4163205

Name:
3-(3,6-Dimethoxy-pyridazin-4-yl)-N-[2-(3-fluoro-ph
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Mol. Formula:
C21H19F4N3O4S

M.W.:
485.46

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
90.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4162777

Name:
5-Trifluoromethyl-4'-(3-trifluoromethyl-phenoxymet
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Mol. Formula:
C29H22F7NO3S

M.W.:
597.55

Type:
Small molecule

AlogP:
7.63

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4162362

Name:
4'-[4-(2-Methoxy-ethyl)-phenoxymethyl]-5-trifluoro
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Mol. Formula:
C31H29F4NO4S

M.W.:
587.64

Type:
Small molecule

AlogP:
6.80

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4162138

Name:
3-(3,5-Dimethyl-isoxazol-4-yl)-N-[2-(3-fluoro-phen
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Mol. Formula:
C20H18F4N2O3S

M.W.:
442.43

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
72.20

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4161318

Name:
3-(2,2'-bithiophen-5-yl)-N-(3-fluorophenethyl)-5-(
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Mol. Formula:
C23H17F4NO2S3

M.W.:
511.59

8 activity values