Compounds

Type:
---

AlogP:
2.71

Polar Surface Area:
87.48

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5203589

Name:
4-[2-[[6-[[5-(trifluoromethyl)-2-pyridyl]oxy]-2-quinolyl]oxy]acetyl]piperazShow More⌵

Mol. Formula:
C21H17F3N4O4

M.W.:
446.39

8 activity values

Type:
---

AlogP:
2.78

Polar Surface Area:
93.65

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5202508

Name:
4-[[2-[2-(1-piperidyl)ethoxy]-6-quinolyl]oxy]benzonitrile

Mol. Formula:
C23H23N3O2

M.W.:
373.46

5 activity values

Type:
---

AlogP:
4.76

Polar Surface Area:
58.38

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5197315

Name:
1-(4-methylpiperazin-1-yl)-2-[[6-[[5-(trifluoromethyl)-2-pyridyl]oxy]-2-quiShow More⌵

Mol. Formula:
C22H21F3N4O3

M.W.:
446.43

Type:
---

AlogP:
3.59

Polar Surface Area:
67.79

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5197085

Name:
1-(1-piperidyl)-2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]ethanone

Mol. Formula:
C21H21N3O3

M.W.:
363.42

Type:
---

AlogP:
3.81

Polar Surface Area:
64.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5196338

Name:
4-[[2-oxo-1-[2-(1-piperidyl)ethyl]-6-quinolyl]oxy]benzonitrile

Mol. Formula:
C23H23N3O2

M.W.:
373.46

25 activity values

8 unique targets

Type:
---

AlogP:
4.15

Polar Surface Area:
58.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5195306

Name:
4-[2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]acetyl]piperazin-2-one

Mol. Formula:
C20H18N4O4

M.W.:
378.39

Type:
---

AlogP:
1.76

Polar Surface Area:
93.65

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5194991

Name:
4-[[2-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]-6-quinolyl]oxy]benzonitrile

Mol. Formula:
C22H18N4O4

M.W.:
402.41

Type:
---

AlogP:
2.24

Polar Surface Area:
104.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5194066

Name:
4-[[2-[2-oxo-2-(1-piperidyl)ethoxy]-6-quinolyl]oxy]benzonitrile

Mol. Formula:
C23H21N3O3

M.W.:
387.44

Type:
---

AlogP:
4.29

Polar Surface Area:
75.45

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5186539

Name:
2-[[2-[[6-(4-cyanophenoxy)-2-quinolyl]oxy]acetyl]amino]acetamide

Mol. Formula:
C20H16N4O4

M.W.:
376.37

8 activity values

Type:
---

AlogP:
1.88

Polar Surface Area:
127.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5186480

Name:
1-(4-methylpiperazin-1-yl)-2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]ethanone

Mol. Formula:
C21H22N4O3

M.W.:
378.43

22 activity values

8 unique targets

Type:
---

AlogP:
2.57

Polar Surface Area:
67.79

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5182301

Name:
4-[2-oxo-1-[2-(1-piperidyl)ethyl]-6-quinolyl]benzonitrile

Mol. Formula:
C23H23N3O

M.W.:
357.46

5 activity values

3 unique targets

Type:
---

AlogP:
4.03

Polar Surface Area:
49.03

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5180334

Name:
1-(1-piperidyl)-2-[[6-[[5-(trifluoromethyl)-2-pyridyl]oxy]-2-quinolyl]oxy]eShow More⌵

Mol. Formula:
C22H20F3N3O3

M.W.:
431.41

Type:
---

AlogP:
4.83

Polar Surface Area:
64.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5179783

Name:
1-piperazin-1-yl-2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]ethanone

Mol. Formula:
C20H20N4O3

M.W.:
364.41

Type:
---

AlogP:
2.23

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5179391

Name:
Tetrodotoxin

Mol. Formula:
C11H17N3O8

M.W.:
319.27

2 activity values

1 unique targets

Type:
---

AlogP:
-5.31

Polar Surface Area:
187.75

HBA:
9

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5178152

Name:
4-[[2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]-6-quinolyl]oxy]benzonitrile

Mol. Formula:
C23H22N4O3

M.W.:
402.45

Type:
---

AlogP:
3.05

Polar Surface Area:
78.69

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5177918

Name:
4-[2-oxo-1-[2-oxo-2-(1-piperidyl)ethyl]-6-quinolyl]benzonitrile

Mol. Formula:
C23H21N3O2

M.W.:
371.44

5 activity values

3 unique targets

Type:
---

AlogP:
3.55

Polar Surface Area:
66.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5174656

Name:
2-[[2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]acetyl]amino]acetamide

Mol. Formula:
C18H16N4O4

M.W.:
352.35

Type:
---

AlogP:
1.40

Polar Surface Area:
116.43

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5173502

Name:
1-piperazin-1-yl-2-[[6-[[5-(trifluoromethyl)-2-pyridyl]oxy]-2-quinolyl]oxy]Show More⌵

Mol. Formula:
C21H19F3N4O3

M.W.:
432.40

8 activity values

Type:
---

AlogP:
3.25

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5173050

Name:
4-[[2-(2-morpholino-2-oxo-ethoxy)-6-quinolyl]oxy]benzonitrile

Mol. Formula:
C22H19N3O4

M.W.:
389.41