Compounds

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
95.32

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4743815

Name:
(S)-2-((4'-chlorobiphenyl-4-yl)methyl)-N-(2-(2-cya
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Mol. Formula:
C24H19ClF2N4O2S

M.W.:
500.96

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4743736

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C20H18Cl2F2N4O2S

M.W.:
487.36

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4742308

Name:
(S)-2-(4-(1H-pyrazol-1-yl)benzyl)-N-(2-(2-cyano-4,
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Mol. Formula:
C21H18F2N6O2S

M.W.:
456.48

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
103.91

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4762591

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C18H14Cl2F2N4O2S

M.W.:
459.31

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4762435

Name:
(S)-2-(4-chloro-2-(trifluoromethyl)phenyl)-N-(2-(2
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Mol. Formula:
C18H12ClF5N4O2S

M.W.:
478.83

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4762306

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C19H18F2N4O2S2

M.W.:
436.51

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
86.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4761499

Name:
(S)-2-(4-(1H-1,2,4-triazol-1-yl)benzyl)-N-(2-(2-cy
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Mol. Formula:
C20H17F2N7O2S

M.W.:
457.47

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
116.80

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4759201

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C19H18F2N4O4S2

M.W.:
468.51

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
120.23

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4758377

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C18H15F2IN4O2S

M.W.:
516.31

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4758299

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C19H15F5N4O4S2

M.W.:
522.48

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
120.23

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4758296

Name:
(S)-5-(4-chlorophenyl)-N-(2-(2-cyano-4,4-difluorop
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Mol. Formula:
C18H15ClF2N4O2

M.W.:
392.79

3 unique targets

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
88.99

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4757491

Name:
(S)-2-(4-chlorophenyl)-N-(2-(2-cyano-4,4-difluorop
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Mol. Formula:
C17H13ClF2N4O2S

M.W.:
410.83

3 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4755802

Name:
(S)-2-(3-bromobenzyl)-N-(2-(2-cyano-4,4-difluoropy
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Mol. Formula:
C18H15BrF2N4O2S

M.W.:
469.31

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4780357

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C19H18F2N4O2S2

M.W.:
436.51

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
86.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4779526

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C19H18F2N4O2S

M.W.:
404.44

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4776967

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C19H15F5N4O2S2

M.W.:
490.48

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
86.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4782931

Name:
(S)-5-(4-chlorophenyl)-N-(2-(2-cyano-4,4-difluorop
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Mol. Formula:
C18H14ClF2N5O2

M.W.:
405.79

3 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
98.98

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4753316

Name:
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C25H19F2N5O2S

M.W.:
491.52

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
109.88

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4751873

Name:
(S)-2-(2-bromobenzyl)-N-(2-(2-cyano-4,4-difluoropy
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Mol. Formula:
C18H15BrF2N4O2S

M.W.:
469.31