Compounds

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
78.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2235673

Name:
1-(4-(6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)imidazo[1,2-b]pyridaziShow More⌵

Mol. Formula:
C25H27FN6O

M.W.:
446.53

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
69.79

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2235672

Name:
3-(4-((1H-imidazol-1-yl)methyl)phenyl)-N-((6-fluoropyridin-3-yl)methyl)-N-mShow More⌵

Mol. Formula:
C23H20FN7

M.W.:
413.46

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
64.14

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2235671

Name:
(4-(6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)imidazo[1,2-b]pyridazin-Show More⌵

Mol. Formula:
C21H21FN6O

M.W.:
392.44

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
78.58

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2235670

Name:
3-(4-aminophenyl)-N-((6-fluoropyridin-3-yl)methyl)-N-methylimidazo[1,2-b]pyShow More⌵

Mol. Formula:
C19H17FN6

M.W.:
348.39

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
72.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2235669

Name:
(4-(6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)imidazo[1,2-b]pyridazin-Show More⌵

Mol. Formula:
C20H18FN5O

M.W.:
363.40

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
66.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2235668

Name:
4-(6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)imidazo[1,2-b]pyridazin-3Show More⌵

Mol. Formula:
C20H17FN6O

M.W.:
376.40

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
89.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2235667

Name:
4-(6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)imidazo[1,2-b]pyridazin-3Show More⌵

Mol. Formula:
C20H15FN6

M.W.:
358.38

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
70.11

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA446759

Name:
(S)-1-(3-morpholinophenyl)ethanamine

Mol. Formula:
C12H18N2O

M.W.:
206.29

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
38.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA497560

Name:
(R)-1-(3-morpholinophenyl)ethanamine

Mol. Formula:
C12H18N2O

M.W.:
206.29

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
38.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA502448

Name:
(S)-2-methyl-1-(3-morpholinophenyl)propan-1-amine

Mol. Formula:
C14H22N2O

M.W.:
234.34

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
38.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA495229

Name:
(R)-2-methyl-1-(3-morpholinophenyl)propan-1-amine

Mol. Formula:
C14H22N2O

M.W.:
234.34

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
38.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA497559

Name:
4-(6-(4-morpholinobenzylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile

Mol. Formula:
C24H22N6O

M.W.:
410.48

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
78.48

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA495938

Name:
(+/-)-4-(6-(piperidin-3-ylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile

Mol. Formula:
C18H18N6

M.W.:
318.38

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
78.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA523925

Name:
4-(6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile

Mol. Formula:
C19H19N5

M.W.:
317.40

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
66.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA454447

Name:
4-(6-((+/-)-2-hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrShow More⌵

Mol. Formula:
C19H19N5O

M.W.:
333.40

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
86.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA496757

Name:
4-(6-((+/-)-3-hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrShow More⌵

Mol. Formula:
C19H19N5O

M.W.:
333.40

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
86.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA524276

Name:
4-(6-((trans)-4-hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)benzoniShow More⌵

Mol. Formula:
C19H19N5O

M.W.:
333.40

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
86.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA497795

Name:
(S)-4-(6-(1-methoxypropan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitriShow More⌵

Mol. Formula:
C17H17N5O

M.W.:
307.36

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
75.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA497794

Name:
4-(6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile

Mol. Formula:
C16H15N5O

M.W.:
293.33