Compounds

Type:
---

AlogP:
3.86

Polar Surface Area:
21.40

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5196304

Name:
10-Chloro-8H-pyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium mesitylenesulShow More⌵

Mol. Formula:
C23H20ClN3O3S

M.W.:
453.95

Type:
---

AlogP:
2.88

Polar Surface Area:
21.40

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.35

DETAILS

ALA5205640

Name:
4-Methyl-5-(thiazol-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C15H16N4O4S

M.W.:
348.38

6 activity values

5 unique targets

Type:
---

AlogP:
0.47

Polar Surface Area:
113.52

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5204324

Name:
4-Methyl-5-(pyrimidin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidShow More⌵

Mol. Formula:
C16H17N5O4

M.W.:
343.34

6 activity values

5 unique targets

Type:
---

AlogP:
-0.19

Polar Surface Area:
126.41

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5203633

Name:
8H-2,3,11-Trimethylpyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium mesitylShow More⌵

Mol. Formula:
C26H27N3O3S

M.W.:
461.59

Type:
---

AlogP:
3.15

Polar Surface Area:
21.40

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5203219

Name:
4-Methyl-5-(quinolin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C21H20N4O4

M.W.:
392.42

Type:
---

AlogP:
1.57

Polar Surface Area:
113.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5201916

Name:
8H-2,3,10,11-Tetramethylpyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium meShow More⌵

Mol. Formula:
C27H29N3O3S

M.W.:
475.61

Type:
---

AlogP:
3.46

Polar Surface Area:
21.40

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5201417

Name:
4-Methyl-5-(2-fluorophenyl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidShow More⌵

Mol. Formula:
C18H18FN3O4

M.W.:
359.36

Type:
---

AlogP:
1.16

Polar Surface Area:
100.63

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5199891

Name:
4-Methyl-5-(pyridin-4-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C17H18N4O4

M.W.:
342.36

Type:
---

AlogP:
0.41

Polar Surface Area:
113.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5199275

Name:
4-Methyl-5-(5-chloropyridin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C17H17ClN4O4

M.W.:
376.80

6 activity values

5 unique targets

Type:
---

AlogP:
1.07

Polar Surface Area:
113.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5207964

Name:
2-((5-bromo-7-methyl-1H-indol-3-yl)methylene)-N-(4-ethylphenyl)hydrazine-1-Show More⌵

Mol. Formula:
C19H19BrN4S

M.W.:
415.36

1 activity values

1 unique targets

Type:
---

AlogP:
5.12

Polar Surface Area:
52.21

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5207092

Name:
4-Methyl-5-(1-methyl-1H-pyrazol-4-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3Show More⌵

Mol. Formula:
C16H19N5O4

M.W.:
345.36

Type:
---

AlogP:
-0.25

Polar Surface Area:
118.45

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5206610

Name:
4-Methyl-5-(2-chlorophenyl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidShow More⌵

Mol. Formula:
C18H18ClN3O4

M.W.:
375.81

Type:
---

AlogP:
1.67

Polar Surface Area:
100.63

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5194086

Name:
4-Methyl-5-(6-chloropyridin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C17H17ClN4O4

M.W.:
376.80

Type:
---

AlogP:
1.07

Polar Surface Area:
113.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5194085

Name:
4-Methyl-5-(3-chloropyridin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C17H17ClN4O4

M.W.:
376.80

27 activity values

8 unique targets

Type:
---

AlogP:
1.07

Polar Surface Area:
113.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5192994

Name:
8H-2,3-dimethyl-11-methoxypyridazinc[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium Show More⌵

Mol. Formula:
C26H27N3O4S

M.W.:
477.59