Compounds

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2263267

Name:
3,6-Dimethyl-9-(2-fluoro-3-chloro-6-trifluoromethy
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Mol. Formula:
C22H20ClF4NO2

M.W.:
441.85

5 activity values

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2263266

Name:
3,6-Dimethyl-9-(2-fluoro-3-chloro-5-trifluoromethy
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Mol. Formula:
C22H20ClF4NO2

M.W.:
441.85

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2263265

Name:
3,6-Dimethyl-9-(3-trifluoromethyl-4-fluorophenyl)-
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Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263264

Name:
3,6-Dimethyl-9-(2-trifluoromethyl-4-fluorophenyl)-
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Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263263

Name:
3,6-Dimethyl-9-(3-fluoro-5-trifluoromethylphenyl)-
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Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263262

Name:
3,6-Dimethyl-9-(2-fluoro-6-trifluoromethylphenyl)-
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Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263261

Name:
3,6-Dimethyl-9-(2-fluoro-5-trifluoromethylphenyl)-
Show More⌵

Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263260

Name:
3,6-Dimethyl-9-(2-fluoro-4-trifluoromethylphenyl)-
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Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263259

Name:
3,6-Dimethyl-9-(2-fluoro-3-trifluoromethylphenyl)-
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Mol. Formula:
C22H21F4NO2

M.W.:
407.41

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2263258

Name:
3,6-Dimethyl-9-(4-chloro-3-trifluoromethylphenyl)-
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Mol. Formula:
C22H21ClF3NO2

M.W.:
423.86

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2263257

Name:
3,6-Dimethyl-9-(2-chloro-5-trifluoromethylphenyl)-
Show More⌵

Mol. Formula:
C22H21ClF3NO2

M.W.:
423.86