Compounds

ALA5208650

Name:
Sodium 4-(((R)-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetraShow More⌵

Mol. Formula:
C23H27N6NaO4S

M.W.:
506.56

2 activity values

1 unique targets

Type:
---

AlogP:
1.61

Polar Surface Area:
133.47

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5206575

Name:
Sodium 4-((1-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetrazoShow More⌵

Mol. Formula:
C31H40FN6NaO4

M.W.:
602.69

2 activity values

1 unique targets

Type:
---

AlogP:
3.99

Polar Surface Area:
124.68

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5206020

Name:
Sodium 4-(((1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)(cyclopropyl)meShow More⌵

Mol. Formula:
C20H27N6NaO4

M.W.:
438.46

2 activity values

1 unique targets

Type:
---

AlogP:
0.65

Polar Surface Area:
142.26

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5204759

Name:
Sodium 4-(((1-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutylShow More⌵

Mol. Formula:
C25H31N6NaO6S

M.W.:
566.62

2 activity values

1 unique targets

Type:
---

AlogP:
1.63

Polar Surface Area:
151.93

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5201636

Name:
Sodium 4-(((1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)(phenyl)methyl)Show More⌵

Mol. Formula:
C23H27N6NaO4

M.W.:
474.50

2 activity values

1 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
142.26

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5197794

Name:
Sodium 4-(((1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)(thiophen-2-yl)Show More⌵

Mol. Formula:
C21H25N6NaO4S

M.W.:
480.53

2 activity values

1 unique targets

Type:
---

AlogP:
1.35

Polar Surface Area:
142.26

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5197730

Name:
Sodium 4-(((R)-(1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)(thiophen-2Show More⌵

Mol. Formula:
C21H25N6NaO4S

M.W.:
480.53

2 activity values

1 unique targets

Type:
---

AlogP:
1.35

Polar Surface Area:
142.26

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5192491

Name:
Sodium 4-((1-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetrazoShow More⌵

Mol. Formula:
C24H35N6NaO4

M.W.:
494.57

5 activity values

3 unique targets

Type:
---

AlogP:
1.94

Polar Surface Area:
133.47

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5191747

Name:
Sodium 4-((cyclopropyl(1-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)Show More⌵

Mol. Formula:
C24H33N6NaO6

M.W.:
524.55

2 activity values

1 unique targets

Type:
---

AlogP:
0.93

Polar Surface Area:
151.93

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5191559

Name:
Sodium 4-(((S)-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetraShow More⌵

Mol. Formula:
C25H29N6NaO4

M.W.:
500.54

2 activity values

1 unique targets

Type:
---

AlogP:
1.55

Polar Surface Area:
133.47

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5189907

Name:
Sodium 4-((1-(1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)-2-methylpropShow More⌵

Mol. Formula:
C20H29N6NaO4

M.W.:
440.48

2 activity values

1 unique targets

Type:
---

AlogP:
0.89

Polar Surface Area:
142.26

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5188863

Name:
Sodium 4-(((R)-1-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetShow More⌵

Mol. Formula:
C24H35N6NaO4

M.W.:
494.57

2 activity values

1 unique targets

Type:
---

AlogP:
1.94

Polar Surface Area:
133.47

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5187240

Name:
Sodium 4-((1-(1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)ethyl)amino)-Show More⌵

Mol. Formula:
C18H25N6NaO4

M.W.:
412.43

2 activity values

1 unique targets

Type:
---

AlogP:
0.26

Polar Surface Area:
142.26

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5187212

Name:
Sodium 4-((1-(1-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutShow More⌵

Mol. Formula:
C24H35N6NaO6

M.W.:
526.57

2 activity values

1 unique targets

Type:
---

AlogP:
1.18

Polar Surface Area:
151.93

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5187124

Name:
Sodium 4-(((S)-(1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)(thiophen-2Show More⌵

Mol. Formula:
C21H25N6NaO4S

M.W.:
480.53

2 activity values

1 unique targets

Type:
---

AlogP:
1.35

Polar Surface Area:
142.26

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5185958

Name:
Sodium 4-((1-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetrazoShow More⌵

Mol. Formula:
C20H27N6NaO4

M.W.:
438.46

2 activity values

1 unique targets

Type:
---

AlogP:
0.52

Polar Surface Area:
133.47

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5185782

Name:
Sodium 4-(benzyl(1-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tShow More⌵

Mol. Formula:
C30H39N6NaO4

M.W.:
570.67

6 activity values

3 unique targets

Type:
---

AlogP:
3.46

Polar Surface Area:
124.68

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5185166

Name:
Sodium 4-(((R)-(1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)(phenyl)metShow More⌵

Mol. Formula:
C23H27N6NaO4

M.W.:
474.50

2 activity values

1 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
142.26

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5182764

Name:
Sodium 4-((1-(1-(4-(benzylamino)-4-oxobutyl)-1H-tetrazol-5-yl)-3,3-dimethylShow More⌵

Mol. Formula:
C22H33N6NaO4

M.W.:
468.53

2 activity values

1 unique targets

Type:
---

AlogP:
1.67

Polar Surface Area:
142.26

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5181912

Name:
Sodium 4-((1-(1-(4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl)-1H-tetrazoShow More⌵

Mol. Formula:
C23H33N6NaO4

M.W.:
480.55

2 activity values

1 unique targets

Type:
---

AlogP:
1.55

Polar Surface Area:
133.47

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.44

DETAILS