Compounds

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
78.52

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4782122

Name:
4-(Pyridin-2-yl)-N'-(4-(trifluoromethoxy)benzylide
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Mol. Formula:
C18H18F3N5O2

M.W.:
393.37

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
70.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4756828

Name:
N'-(2,4-Dihydroxybenzylidene)-4-(pyridine-2-yl)pip
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Mol. Formula:
C17H19N5O3

M.W.:
341.37

Type:
Unknown

AlogP:
1.36

Polar Surface Area:
101.29

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4756730

Name:
2-(4-Chlorophenyl)-5-(4-(pyridin-2-yl)piperazin-1-
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Mol. Formula:
C17H16ClN5O

M.W.:
341.80

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
58.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4764740

Name:
2-(4-(Pyridin-2-yl)piperazin-1-yl)-5-(4-(trifluoro
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Mol. Formula:
C18H16F3N5O

M.W.:
375.35

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
58.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5219771

Name:
[3-[[methyl-[7-[3-(4-oxochromen-2-yl)phenoxy]hepty
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Mol. Formula:
C32H36N2O5

M.W.:
528.65

6 activity values

Type:
---

AlogP:
6.64

Polar Surface Area:
81.01

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5218632

Name:
[3-[[methyl-[7-[4-(4-oxochromen-2-yl)phenoxy]hepty
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Mol. Formula:
C32H36N2O5

M.W.:
528.65

3 activity values

3 unique targets

Type:
---

AlogP:
6.64

Polar Surface Area:
81.01

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4754304

Name:
2-(4-Nitrophenyl)-5-(4-(pyridin-2-yl)piperazin-1-y
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Mol. Formula:
C17H16N6O3

M.W.:
352.35

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
101.43

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4793365

Name:
2-(4-(Pyridin-2-yl)piperazin-1-yl)-5-(4-(trifluoro
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Mol. Formula:
C18H16F3N5O2

M.W.:
391.35

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
67.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4793006

Name:
N'-(4-Hydroxybenzylidene)-4-(pyridin-2-yl)piperazi
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Mol. Formula:
C17H19N5O2

M.W.:
325.37

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4800161

Name:
4-(Pyridin-2-yl)-N'-(3,4,5-trimethoxybenzylidene)p
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Mol. Formula:
C20H25N5O4

M.W.:
399.45

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
88.52

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4763434

Name:
N'-(2,4-Difluorobenzylidene)-4-(pyridine-2-yl)pipe
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Mol. Formula:
C17H17F2N5O

M.W.:
345.35

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
60.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4761911

Name:
2-(4-Fluorophenyl)-5-(4-(pyridin-2-yl)piperazin-1-
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Mol. Formula:
C17H16FN5O

M.W.:
325.35

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
58.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4761564

Name:
4-(5-(4-(Pyridin-2-yl)piperazin-1-yl)-1,3,4-oxadia
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Mol. Formula:
C17H17N5O3

M.W.:
339.36

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
98.75

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4779999

Name:
2-(4-Bromophenyl)-5-(4-(pyridin-2-yl)piperazin-1-y
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Mol. Formula:
C17H16BrN5O

M.W.:
386.25

14 activity values

8 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
58.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4788019

Name:
N'-(4-Fluorobenzylidene)-4-(pyridin-2-yl)piperazin
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Mol. Formula:
C17H18FN5O

M.W.:
327.36

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
60.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4748077

Name:
4-(Pyridin-2-yl)-N'-(4-(trifluoromethyl)benzyliden
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Mol. Formula:
C18H18F3N5O

M.W.:
377.37

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
60.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4746898

Name:
N'-(4-Bromobenzylidene)-4-(pyridin-2-yl)piperazine
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Mol. Formula:
C17H18BrN5O

M.W.:
388.27

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
60.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4746559

Name:
2-Phenyl-5-(4-(pyridin-2-yl)piperazin-1-yl)-1,3,4-
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Mol. Formula:
C17H17N5O

M.W.:
307.36

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
58.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4746180

Name:
4-(5-(4-(Pyridin-2-yl)piperazin-1-yl)-1,3,4-oxadia
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Mol. Formula:
C17H17N5O2

M.W.:
323.36