Compounds

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
62.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4218769

Name:
(S)-N-(2-(diethylamino)propyl)-2-(methylamino)-6-(5-(thiophen-2-yl)pyrazoloShow More⌵

Mol. Formula:
C24H29N7OS

M.W.:
463.61

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
87.45

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4218245

Name:
(S)-N-(2-(diethylamino)propyl)-2-(2-methoxyethylamino)-6-(5-(thiophen-2-yl)Show More⌵

Mol. Formula:
C26H33N7O2S

M.W.:
507.66

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
96.68

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4217261

Name:
(S)-N-(2-(diethylamino)propyl)-2-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C23H26N6OS

M.W.:
434.57

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
75.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4216080

Name:
N-(2-(diethylamino)ethyl)-3-(6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl)Show More⌵

Mol. Formula:
C23H25N5OS

M.W.:
419.55

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
62.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4215817

Name:
N-((S)-2-(diethylamino)propyl)-2-((S)-3-hydroxypyrrolidin-1-yl)-6-(5-(thiopShow More⌵

Mol. Formula:
C27H33N7O2S

M.W.:
519.68

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
98.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4215635

Name:
N-(2-(diethylamino)ethyl)-5-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylShow More⌵

Mol. Formula:
C24H25N7OS

M.W.:
459.58

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
79.83

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4214991

Name:
N-(2-(dimethylamino)ethyl)-3-(6-phenylimidazo[1,2-b]pyridazin-3-yl)benzamidShow More⌵

Mol. Formula:
C23H23N5O

M.W.:
385.47

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
62.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4214345

Name:
N-(3-(diethylamino)propyl)-2-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yShow More⌵

Mol. Formula:
C23H26N6OS

M.W.:
434.57

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
75.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4213838

Name:
(S)-N-(2-(diethylamino)propyl)-2-(dimethylamino)-6-(5-(thiophen-2-yl)pyrazoShow More⌵

Mol. Formula:
C25H31N7OS

M.W.:
477.64

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
78.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4213540

Name:
(R)-N-(2-(diethylamino)propyl)-2-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C23H26N6OS

M.W.:
434.57

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
75.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4213305

Name:
N-(2-(diethylamino)ethyl)-8-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylShow More⌵

Mol. Formula:
C24H25N7OS

M.W.:
459.58

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
79.83

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4211934

Name:
N-(2-(diisopropylamino)ethyl)-3-(6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3Show More⌵

Mol. Formula:
C25H29N5OS

M.W.:
447.61

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
62.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4211430

Name:
(S)-N-(1-(diethylamino)propan-2-yl)-2-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyriShow More⌵

Mol. Formula:
C23H26N6OS

M.W.:
434.57

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
75.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4211112

Name:
N-(2-hydroxyethyl)-3-(6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl)benzamiShow More⌵

Mol. Formula:
C19H16N4O2S

M.W.:
364.43

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
79.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4211047

Name:
N-butyl-3-(6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl)benzamide

Mol. Formula:
C21H20N4OS

M.W.:
376.49

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
59.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4210881

Name:
(S)-N-(2-(diethylamino)propyl)-2-(2-methoxyethoxy)-6-(5-(thiophen-2-yl)pyraShow More⌵

Mol. Formula:
C26H32N6O3S

M.W.:
508.65

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
93.88

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4210568

Name:
N-(2-(diethylamino)ethyl)-3-(5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylShow More⌵

Mol. Formula:
C23H25N5OS

M.W.:
419.55

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
62.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4210073

Name:
N-(2-(diethylamino)ethyl)-3-(6-phenylimidazo[1,2-b]pyridazin-3-yl)benzamide

Mol. Formula:
C25H27N5O

M.W.:
413.53

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
62.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4209840

Name:
(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(5-(thiophen-2-yl)pyrazolo[1,5-a]pShow More⌵

Mol. Formula:
C23H24N6OS

M.W.:
432.55