Compounds

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
99.77

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1092739

Name:
tert-butyl 2-((S)-1-((1S,2R)-2-(4-(methylthio)benz
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Mol. Formula:
C31H39F3N4O4S

M.W.:
620.74

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
99.77

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1091266

Name:
(+/-)-tert-butyl 2-((R)-1-((1S,2R)-2-(4-(methylthi
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Mol. Formula:
C29H37F3N4O4S

M.W.:
594.70

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
108.56

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1092435

Name:
tert-butyl 2-((S)-1-((1S,2R)-2-(4-(methylthio)benz
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Mol. Formula:
C31H37F3N4O5S

M.W.:
634.72

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
116.84

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1092434

Name:
tert-butyl 2-(2-((1S,2R)-2-(4-(methylthio)benzylam
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Mol. Formula:
C31H37F3N4O5S

M.W.:
634.72

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
116.84

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1092433

Name:
(+/-)-tert-butyl 2-(2-((1S,2R)-2-(4-(methylthio)be
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Mol. Formula:
C29H35F3N4O5S

M.W.:
608.68

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
125.63

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1091172

Name:
N-(2-((3R)-1-(2-(4-benzoylpiperazin-1-yl)butyl)pyr
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Mol. Formula:
C29H36F3N5O3

M.W.:
559.63

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1091171

Name:
N-(2-((3R)-1-(1-(4-benzoylpiperazin-1-yl)butan-2-y
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Mol. Formula:
C29H36F3N5O3

M.W.:
559.63

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1090148

Name:
N-(2-((3R)-1-(1-(4-benzoylpiperazin-1-yl)propan-2-
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Mol. Formula:
C28H34F3N5O3

M.W.:
545.61

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1088810

Name:
N-(2-((3R)-1-(2-(4-benzoylpiperazin-1-yl)propyl)py
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Mol. Formula:
C28H34F3N5O3

M.W.:
545.61

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1093154

Name:
(R)-N-(2-(1-(2-(4-(4-fluorobenzoyl)piperazin-1-yl)
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Mol. Formula:
C27H31F4N5O3

M.W.:
549.57

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1093153

Name:
(R)-N-(2-(1-(2-(4-(4-methylbenzoyl)piperazin-1-yl)
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Mol. Formula:
C28H34F3N5O3

M.W.:
545.61

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1092343

Name:
(R)-N-(2-(1-(2-(4-(3-methylbenzoyl)piperazin-1-yl)
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Mol. Formula:
C28H34F3N5O3

M.W.:
545.61

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1093470

Name:
(R)-N-(2-(1-(2-(4-(2-methylbenzoyl)piperazin-1-yl)
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Mol. Formula:
C28H34F3N5O3

M.W.:
545.61

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1092632

Name:
(R)-N-(2-(1-(2-(1-(3,5-dimethylbenzoyl)piperidin-4
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Mol. Formula:
C30H37F3N4O3

M.W.:
558.65

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1092294

Name:
(R)-N-(2-oxo-2-(1-(2-(1-(4-propylbenzoyl)piperidin
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Mol. Formula:
C31H39F3N4O3

M.W.:
572.67

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1092293

Name:
(R)-N-(2-(1-(2-(1-(4-ethylbenzoyl)piperidin-4-yl)e
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Mol. Formula:
C30H37F3N4O3

M.W.:
558.65

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1089965

Name:
(R)-N-(2-(1-(2-(1-(4-methylbenzoyl)piperidin-4-yl)
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Mol. Formula:
C29H35F3N4O3

M.W.:
544.62

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1090548

Name:
(R)-N-(2-(1-(2-(1-(3-methylbenzoyl)piperidin-4-yl)
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Mol. Formula:
C29H35F3N4O3

M.W.:
544.62

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1090206

Name:
(R)-N-(2-(1-(2-(1-(2-methylbenzoyl)piperidin-4-yl)
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Mol. Formula:
C29H35F3N4O3

M.W.:
544.62