Compounds

ALA5286488

Name:
3-Benzo[b]thiophen-2-yl-1-[4-(5-hydroxy-pyridin-2-
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Mol. Formula:
C20H21N3O2S

M.W.:
367.47

Type:
---

AlogP:
3.28

Polar Surface Area:
56.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5286064

Name:
3-(4-Chloro-phenyl)-1-[4-(5-hydroxy-pyridin-2-yl)-
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Mol. Formula:
C20H24ClN3O2

M.W.:
373.88

Type:
---

AlogP:
3.46

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5285899

Name:
N-[1-(4-Hydroxy-phenyl)-piperidin-4-yl]-2-phenyl-a
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Mol. Formula:
C19H22N2O2

M.W.:
310.40

Type:
---

AlogP:
2.72

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5284610

Name:
3-(4-Butoxy-phenyl)-1-[4-(4-hydroxy-phenyl)-pipera
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Mol. Formula:
C23H30N2O3

M.W.:
382.50

Type:
---

AlogP:
3.85

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5284509

Name:
1-[4-(6-hydroxypyridazin-3-yl)piperazin-1-yl]-2-ph
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Mol. Formula:
C16H18N4O2

M.W.:
298.35

Type:
---

AlogP:
1.07

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5284469

Name:
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenyletha
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Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
2.28

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.94

DETAILS

ALA5283717

Name:
2-phenyl-N-(1H-tetrazol-5-yl)quinoline-4-carboxami
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Mol. Formula:
C17H12N6O

M.W.:
316.32

Type:
---

AlogP:
2.67

Polar Surface Area:
96.45

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5283020

Name:
1-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-2-(4-trifl
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Mol. Formula:
C19H19F3N2O2

M.W.:
364.37

Type:
---

AlogP:
3.30

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5282920

Name:
N-Hydroxy-4-(4-phenylacetyl-piperazin-1-yl)-benzam
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Mol. Formula:
C19H21N3O3

M.W.:
339.40

Type:
---

AlogP:
1.70

Polar Surface Area:
72.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5282439

Name:
3-(4-Fluoro-phenyl)-1-[4-(5-hydroxy-pyridin-2-yl)-
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Mol. Formula:
C18H20FN3O2

M.W.:
329.38

Type:
---

AlogP:
2.21

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5281297

Name:
1-[4-(5-Hydroxy-pyridin-2-yl)-piperazin-1-yl]-3-ph
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Mol. Formula:
C18H21N3O2

M.W.:
311.38

Type:
---

AlogP:
2.07

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5281258

Name:
1-[4-(5-Hydroxy-pyridin-2-yl)-piperazin-1-yl]-3-[4
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Mol. Formula:
C21H27N3O4

M.W.:
385.46

Type:
---

AlogP:
2.09

Polar Surface Area:
75.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279961

Name:
4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid

Mol. Formula:
C19H20N2O3

M.W.:
324.38

Type:
---

AlogP:
2.28

Polar Surface Area:
60.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5279859

Name:
1-[4-(3-Hydroxy-phenyl)-piperazin-1-yl]-2-phenyl-e
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Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
2.28

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.94

DETAILS

ALA5279589

Name:
1-[4-(5-Hydroxy-pyridin-2-yl)-piperazin-1-yl]-3-th
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Mol. Formula:
C16H19N3O2S

M.W.:
317.41

Type:
---

AlogP:
2.13

Polar Surface Area:
56.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5279230

Name:
1-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-2-phenoxy-
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Mol. Formula:
C18H20N2O3

M.W.:
312.37

Type:
---

AlogP:
2.12

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5279096

Name:
2-(4-Chloro-phenyl)-1-[4-(4-hydroxy-phenyl)-pipera
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Mol. Formula:
C18H19ClN2O2

M.W.:
330.82

Type:
---

AlogP:
2.94

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5278951

Name:
4-(4-Hydroxy-phenyl)-piperazine-1-carboxylic acid
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Mol. Formula:
C17H19N3O2

M.W.:
297.36

Type:
---

AlogP:
2.75

Polar Surface Area:
55.81

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA5278596

Name:
1-[4-(5-Hydroxy-pyridin-2-yl)-piperazin-1-yl]-2-ph
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Mol. Formula:
C17H19N3O2

M.W.:
297.36

Type:
---

AlogP:
1.68

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5291081

Name:
3-(4-Butoxy-phenyl)-1-[4-(5-hydroxy-pyridin-2-yl)-
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Mol. Formula:
C22H29N3O3

M.W.:
383.49

Type:
---

AlogP:
3.25

Polar Surface Area:
65.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS