Compounds

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
87.47

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4475604

Name:
(4-Benzoylpiperidin-1-yl)(3-hydroxyphenyl)methanon
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Mol. Formula:
C19H19NO3

M.W.:
309.36

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4474818

Name:
(4-(4-Ethylbenzoyl)piperidin-1-yl)(3-hydroxyphenyl
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Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4540684

Name:
3-Cyanophenyl 4-(cyclopentyl(phenyl)methyl)piperaz
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Mol. Formula:
C17H21N3O2

M.W.:
299.37

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
56.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4521157

Name:
3-Cyanophenyl 4-benzhydrylpiperidine-1-carboxylate

Mol. Formula:
C26H24N2O2

M.W.:
396.49

20 activity values

9 unique targets

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
53.33

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4519763

Name:
3-cyanophenyl 4-(phenyl(pyridin-3-yl)methyl)pipera
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Mol. Formula:
C24H22N4O2

M.W.:
398.47

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
69.46

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4559346

Name:
(1-(3-Hydroxybenzoyl)piperidin-4-yl)(p-tolyl)metha
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Mol. Formula:
C20H21NO3

M.W.:
323.39

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4557262

Name:
3-cyanophenyl 4-cyclopropylpiperazine-1-carboxylat
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Mol. Formula:
C15H17N3O2

M.W.:
271.32

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
56.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4553078

Name:
(1-(2-Fluoro-5-methoxybenzoyl)piperidin-4-yl)(4-is
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Mol. Formula:
C23H26FNO3

M.W.:
383.46

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4552228

Name:
(4-(4-Chlorobenzoyl)piperidin-1-yl)(3-hydroxy-2-io
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Mol. Formula:
C19H17ClINO3

M.W.:
469.71

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4568297

Name:
(4-(4-Chlorobenzoyl)piperidin-1-yl)(3-hydroxy-5-io
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Mol. Formula:
C19H17ClINO3

M.W.:
469.71

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4530498

Name:
(1-(3-Bromo-5-hydroxybenzoyl)piperidin-4-yl)(4-chl
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Mol. Formula:
C19H17BrClNO3

M.W.:
422.71

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4527656

Name:
(4-(4-Chlorobenzoyl)piperidin-1-yl)(5-hydroxy-2-io
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Mol. Formula:
C19H17ClINO3

M.W.:
469.71

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4549211

Name:
(4-(4-Chlorobenzoyl)piperidin-1-yl)(4-fluoro-3-hyd
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Mol. Formula:
C19H17ClFNO3

M.W.:
361.80

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4548730

Name:
5-Cyano-2-fluorophenyl 4-benzhydrylpiperidine-1-ca
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Mol. Formula:
C26H23FN2O2

M.W.:
414.48

Type:
Unknown

AlogP:
5.74

Polar Surface Area:
53.33

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4546498

Name:
3-(1,1-Dioxidothiomorpholino)phenyl (S)-2-methyl-4
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Mol. Formula:
C22H27N3O4S

M.W.:
429.54

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
70.16

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4741450

Name:
4-(4-Chlorobenzyl)-1-(4-methoxybenzyl)piperidine

Mol. Formula:
C20H24ClNO

M.W.:
329.87

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4776276

Name:
N-(4-(benzo[d]thiazol-2-yl)phenyl)-2-(piperidin-1-
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Mol. Formula:
C20H21N3OS

M.W.:
351.48

61 activity values

59 unique targets

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
45.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4764949

Name:
(1-(2-Aminobenzoyl)piperidin-4-yl)(4-chlorophenyl)
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Mol. Formula:
C19H19ClN2O2

M.W.:
342.83

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
63.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4764345

Name:
(4-(4-Chlorobenzoyl)piperidin-1-yl)(4-hydroxypheny
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Mol. Formula:
C19H18ClNO3

M.W.:
343.81