Compounds

ALA5281253

Name:
1-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)pyridin-1-ium chloriShow More⌵

Mol. Formula:
C19H15ClN2O2

M.W.:
338.79

Type:
---

AlogP:
2.42

Polar Surface Area:
41.26

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5289555

Name:
4-(2-(6-(dimethylamino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1Show More⌵

Mol. Formula:
C22H22ClN3O2

M.W.:
395.89

Type:
---

AlogP:
2.57

Polar Surface Area:
44.50

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5286221

Name:
1-(2-(6-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)pyridin-1-iuShow More⌵

Mol. Formula:
C19H16ClN3O2

M.W.:
353.81

Type:
---

AlogP:
2.01

Polar Surface Area:
67.28

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5272101

Name:
4-(2-(6-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-methylpyrShow More⌵

Mol. Formula:
C20H18ClN3O2

M.W.:
367.84

Type:
---

AlogP:
2.09

Polar Surface Area:
67.28

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5093499

Name:
2-(4-guanidinomethyl)benzyl-6-guanidinomethylpyridazin-3(2H)-one dihydrochlShow More⌵

Mol. Formula:
C15H22Cl2N8O

M.W.:
401.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
158.69

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5084551

Name:
2-(4-guanidinomethyl)benzyl-4-guanidinomethylpyridazin-3(2H)-one dihydrochlShow More⌵

Mol. Formula:
C15H22Cl2N8O

M.W.:
401.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
158.69

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5083484

Name:
2-(4-guanidinomethyl)benzyl-5-guanidinomethylpyridazin-3(2H)-one dihydrochlShow More⌵

Mol. Formula:
C15H22Cl2N8O

M.W.:
401.30

4 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
158.69

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1730473

Name:
SID24832797

Mol. Formula:
C22H29ClN2O3

M.W.:
404.94

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1721637

Name:
SID24808304

Mol. Formula:
C10H11N3OS

M.W.:
221.29

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
61.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1409608

Name:
SID49826718

Mol. Formula:
C24H23NO4

M.W.:
389.45

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
68.65

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS