Compounds

Type:
---

AlogP:
1.98

Polar Surface Area:
106.15

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5193835

Name:
(R)-2-methyl-2-(5-(3-methylmorpholino)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-Show More⌵

Mol. Formula:
C17H20N8O

M.W.:
352.40

Type:
---

AlogP:
1.77

Polar Surface Area:
119.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5191365

Name:
(R)-6-fluoro-N-methyl-1-(4-(1-methyl-1H-pyrazol-5-yl)-6-(3-methylmorpholinoShow More⌵

Mol. Formula:
C21H23FN8O

M.W.:
422.47

Type:
---

AlogP:
2.62

Polar Surface Area:
85.92

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5183050

Name:
1-[(5R,8aS)-5-Methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,8a,9-tetrahydro-Show More⌵

Mol. Formula:
C21H20N6O2

M.W.:
388.43

Type:
---

AlogP:
2.56

Polar Surface Area:
99.95

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5182811

Name:
(R)-3-methyl-4-(8-(6-methylpyridin-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pShow More⌵

Mol. Formula:
C20H21N7O

M.W.:
375.44

Type:
---

AlogP:
2.71

Polar Surface Area:
84.23

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5178144

Name:
(3R)-3-methyl-4-(8-(1-methyl-1H-pyrazol-5-yl)-3-(1H-pyrazol-5-yl)imidazo[1,Show More⌵

Mol. Formula:
C18H20N8O

M.W.:
364.41

Type:
---

AlogP:
1.74

Polar Surface Area:
89.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5173530

Name:
(3R)-3-methyl-4-(1-methyl-7-(1-methyl-1H-pyrazol-5-yl)-3-(1H-pyrazol-5-yl)-Show More⌵

Mol. Formula:
C18H21N9O

M.W.:
379.43

5 activity values

Type:
---

AlogP:
1.38

Polar Surface Area:
102.57

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5171719

Name:

Mol. Formula:
C21H24N6O3S

M.W.:
440.53

Type:
---

AlogP:
2.67

Polar Surface Area:
117.08

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4295245

Name:
2-[(5R,8aS)-5-Methyl-3-(5-methylamino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,8aShow More⌵

Mol. Formula:
C21H26N6O3

M.W.:
410.48

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
108.42

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4293269

Name:
Ethyl-{4-[(5R,8aS)-1-(1-methanesulfonyl-1-methyl-ethyl)-5-methyl-5,6,8a,9-tShow More⌵

Mol. Formula:
C23H30N6O4S

M.W.:
486.60

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
122.33

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4287971

Name:
{1-[(5R,8aS)-1-(1-Methanesulfonyl-1-methyl-ethyl)-5-methyl-5,6,8a,9-tetrahyShow More⌵

Mol. Formula:
C18H26N6O4S

M.W.:
422.51

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
111.47

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4284592

Name:
{4-[(5R,8aS)-1-(1-Methanesulfonyl-1-methyl-ethyl)-5-methyl-5,6,8a,9-tetrahyShow More⌵

Mol. Formula:
C22H28N6O4S

M.W.:
472.57

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
122.33

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4282665

Name:
[(5R,8aS)-1-(1-Methanesulfonyl-1-methyl-ethyl)-5-methyl-5,6,8a,9-tetrahydroShow More⌵

Mol. Formula:
C18H26N6O4S

M.W.:
422.51

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
113.54

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4280068

Name:
{1-[(5R,8aS)-1-(1-Methanesulfonyl-1-methyl-ethyl)-5-methyl-5,6,8a,9-tetrahyShow More⌵

Mol. Formula:
C22H28N6O4S

M.W.:
472.57