Compounds

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
90.88

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4792072

Name:
5-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]-3-fluoro-phenyl]-7-methyl-pShow More⌵

Mol. Formula:
C22H26FN5O

M.W.:
395.48

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
91.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4783510

Name:
(1r,4r)-3-[4-[(4-aminocyclohexyl)methoxy]-3-fluoro-phenyl]-1-methyl-pyrazolShow More⌵

Mol. Formula:
C19H23FN6O

M.W.:
370.43

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
104.87

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4782200

Name:
(1s,4s)-3-[4-[(4-aminocyclohexyl)methoxy]-3-fluoro-phenyl]-1-methyl-pyrazolShow More⌵

Mol. Formula:
C19H23FN6O

M.W.:
370.43

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
104.87

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4776103

Name:
3-[3-fluoro-4-(4-piperidylmethoxy)phenyl]-1-methyl-pyrazolo[3,4-d]pyrimidinShow More⌵

Mol. Formula:
C18H21FN6O

M.W.:
356.41

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
90.88

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4748638

Name:
3-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]-3-fluoro-phenyl]-1-methyl-pShow More⌵

Mol. Formula:
C21H25FN6O

M.W.:
396.47

11 activity values

6 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
104.87

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4745239

Name:
1-[[4-(6-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoro-phenoxy]metShow More⌵

Mol. Formula:
C21H24FN5O2

M.W.:
397.45

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
99.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4743698

Name:
3-[3-fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-methyl-pyrazolo[Show More⌵

Mol. Formula:
C20H26FN7O

M.W.:
399.47

6 activity values

4 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
85.33

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4740968

Name:
1-[[3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridyl]oxymethyl]bicycloShow More⌵

Mol. Formula:
C21H24N4O2

M.W.:
364.45

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
83.92

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4740820

Name:
4-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]-3-fluoro-phenyl]-1-methyl-pShow More⌵

Mol. Formula:
C21H25FN6O

M.W.:
396.47

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
104.87

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4647802

Name:
NA

Mol. Formula:
C58H86N6O38

M.W.:
1475.33

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4647035

Name:
4-[[6-amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-yl]methyl]-N-[(3S,4S,5S,6RShow More⌵

Mol. Formula:
C22H28N6O9

M.W.:
520.50

Type:
Unknown

AlogP:
-2.28

Polar Surface Area:
227.56

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4645661

Name:
4-[[6-amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-yl]methyl]-N-[(3R,4R,5S,6RShow More⌵

Mol. Formula:
C28H38N6O14

M.W.:
682.64

7 activity values

2 unique targets

Type:
Unknown

AlogP:
-4.46

Polar Surface Area:
306.71

HBA:
19

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4641702

Name:
4-[[6-amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-yl]methyl]-N-[(3R,4R,5S,6RShow More⌵

Mol. Formula:
C28H38N6O14

M.W.:
682.64

Type:
Unknown

AlogP:
-4.46

Polar Surface Area:
306.71

HBA:
19

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4641619

Name:
4-[[6-amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-yl]methyl]-N-[(3R,4S,5S,6RShow More⌵

Mol. Formula:
C22H28N6O9

M.W.:
520.50

6 activity values

Type:
Unknown

AlogP:
-2.28

Polar Surface Area:
227.56

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4640564

Name:
4-[[6-amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-yl]methyl]-N-[(3R,4R,5S,6RShow More⌵

Mol. Formula:
C22H28N6O9

M.W.:
520.50

2 unique targets

Type:
Unknown

AlogP:
-2.28

Polar Surface Area:
227.56

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4639831

Name:
NA

Mol. Formula:
C52H76N6O33

M.W.:
1313.19

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4639099

Name:
4-[[6-amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-yl]methyl]-N-[(3R,4S,5R,6RShow More⌵

Mol. Formula:
C22H28N6O9

M.W.:
520.50

Type:
Unknown

AlogP:
-2.28

Polar Surface Area:
227.56

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

TLR7 agonist T7

Name:
2-methoxyethoxy-8-oxo-9-(4-carboxybenzyl)adenine

Mol. Formula:
C16H17N5O5

M.W.:
359.34

9 activity values

3 unique targets

Type:
Unknown

AlogP:
0.47

Polar Surface Area:
145.35

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4636482

Name:
NA

Mol. Formula:
C64H96N6O43

M.W.:
1637.47