Compounds

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4546558

Name:
(1R,3R)-3-Acetamido-N-((R)-4-((S)-4-(4-chloropheny
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Mol. Formula:
C25H36ClN3O4

M.W.:
478.03

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
98.74

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4546480

Name:
rac-1-(1-(4-Chloro-3-methoxyphenyl)piperidin-4-yl)
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Mol. Formula:
C18H22ClF3N4O2

M.W.:
418.85

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
63.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4556112

Name:
1-(4-chlorophenyl)-5-(dimethylamino)-N-(3-(trifluo
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Mol. Formula:
C20H18ClF3N4O

M.W.:
422.84

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4559982

Name:
rac-2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-py
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Mol. Formula:
C19H22Cl3F3N4O

M.W.:
485.77

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
56.31

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4559773

Name:
N-(4-(4-(3,5-dichloropyridin-2-yl)-4-hydroxy-3,3-d
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Mol. Formula:
C24H29Cl2N3O3

M.W.:
478.42

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
82.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4559388

Name:
1-(4-fluorophenyl)-N-(3-(methylsulfonyl)benzyl)-1H
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Mol. Formula:
C22H18FN3O3S

M.W.:
423.47

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
81.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4557554

Name:
1-(3,4-dichlorophenyl)-N-(3-(trifluoromethyl)benzy
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Mol. Formula:
C22H14Cl2F3N3O

M.W.:
464.27

Type:
Unknown

AlogP:
6.28

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4552741

Name:
1-(3-fluorophenyl)-N-(3-(trifluoromethyl)benzyl)-1
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Mol. Formula:
C22H15F4N3O

M.W.:
413.37

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4540639

Name:
2-(4-chlorophenyl)-1-methyl-N-(3-(trifluoromethyl)
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Mol. Formula:
C19H15ClF3N3O

M.W.:
393.80

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4538794

Name:
5-methyl-1-(4-nitrophenyl)-N-(3-(trifluoromethyl)b
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Mol. Formula:
C19H15F3N4O3

M.W.:
404.35

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
90.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4533629

Name:
1-(4-fluorophenyl)-N-(3-(methylcarbamoyl)benzyl)-1
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Mol. Formula:
C23H19FN4O2

M.W.:
402.43

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
76.02

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4533401

Name:
1-(4-methoxyphenyl)-N-(3-(trifluoromethyl)benzyl)-
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Mol. Formula:
C23H18F3N3O2

M.W.:
425.41

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4531078

Name:
4-Acetyl-5-cyclohexyl-1-(3-fluorophenyl)-3-hydroxy
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Cas Number:
512177-56-9

Mol. Formula:
C18H20FNO3

M.W.:
317.36

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4527255

Name:
1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1H-indaz
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Mol. Formula:
C20H15FN4O

M.W.:
346.37

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4525819

Name:
2-(4-chlorophenyl)-1-methyl-N-(3-(trifluoromethyl)
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Mol. Formula:
C19H15ClF3N3O

M.W.:
393.80

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4513370

Name:
(S)-1-(4-chlorophenyl)-N-(1-(2-fluoro-3-(trifluoro
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Mol. Formula:
C20H16ClF4N3O

M.W.:
425.81

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4483756

Name:
4-Acetyl-5-cyclohexyl-3-hydroxy-1-(3-(trifluoromet
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Mol. Formula:
C19H20F3NO3

M.W.:
367.37

3 activity values

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4476819

Name:
5-methyl-1-phenyl-N-(3-(trifluoromethyl)benzyl)-1H
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Mol. Formula:
C19H16F3N3O

M.W.:
359.35

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4476649

Name:
1-benzyl-N-(3-(trifluoromethyl)benzyl)-1H-indazole
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Mol. Formula:
C23H18F3N3O

M.W.:
409.41