Compounds

ALA5280197

Name:
4-(5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(2-(pyrrolidin-Show More⌵

Mol. Formula:
C24H22N6OS

M.W.:
442.55

Type:
---

AlogP:
3.82

Polar Surface Area:
86.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5279032

Name:
4-(2-(4-(2-methylpiperidine-1-carbonyl)phenyl)imidazo[2,1-b][1,3,4]thiadiazShow More⌵

Mol. Formula:
C24H21N5OS

M.W.:
427.53

Type:
---

AlogP:
5.01

Polar Surface Area:
74.29

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5278124

Name:
4-(5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(2-(dimethylamiShow More⌵

Mol. Formula:
C22H20N6OS

M.W.:
416.51

Type:
---

AlogP:
3.29

Polar Surface Area:
86.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5289915

Name:
7-((4-((4-fluorophenyl)amino)pyrido[3,2-d]pyrimidin-6-yl)amino)-N-hydroxyheShow More⌵

Mol. Formula:
C20H23FN6O2

M.W.:
398.44

Type:
---

AlogP:
3.78

Polar Surface Area:
112.06

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5289237

Name:
methyl 4-(2-(4-(4-methylpiperazine-1-carbonyl)phenyl)imidazo[2,1-b][1,3,4]tShow More⌵

Mol. Formula:
C24H23N5O3S

M.W.:
461.55

Type:
---

AlogP:
3.30

Polar Surface Area:
80.04

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5288682

Name:
4-(5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(3-hydroxypropyShow More⌵

Mol. Formula:
C21H17N5O2S

M.W.:
403.47

Type:
---

AlogP:
3.11

Polar Surface Area:
103.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5288290

Name:
4-(2-(4-(pyrrolidine-1-carbonyl)phenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-ylShow More⌵

Mol. Formula:
C22H17N5OS

M.W.:
399.48

Type:
---

AlogP:
4.23

Polar Surface Area:
74.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5288098

Name:
4-(5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(5-hydroxypentyShow More⌵

Mol. Formula:
C23H21N5O2S

M.W.:
431.52

Type:
---

AlogP:
3.89

Polar Surface Area:
103.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5286963

Name:
4-(5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(2-hydroxyethylShow More⌵

Mol. Formula:
C20H15N5O2S

M.W.:
389.44

Type:
---

AlogP:
2.72

Polar Surface Area:
103.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5270526

Name:
4-(5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(3-morpholinoprShow More⌵

Mol. Formula:
C25H24N6O2S

M.W.:
472.57

Type:
---

AlogP:
3.45

Polar Surface Area:
95.55

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5268626

Name:
(4-methylpiperazin-1-yl)(4-(5-(pyridin-4-yl)imidazo[2,1-b][1,3,4]thiadiazolShow More⌵

Mol. Formula:
C21H20N6OS

M.W.:
404.50

Type:
---

AlogP:
2.91

Polar Surface Area:
66.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5204875

Name:
5,6-Dichloro-2,4-diphenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

Mol. Formula:
C18H12Cl2N4

M.W.:
355.23

2 activity values

2 unique targets

Type:
---

AlogP:
4.98

Polar Surface Area:
56.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5202835

Name:
6-(3-Methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

Mol. Formula:
C20H18N4O2

M.W.:
346.39

2 activity values

2 unique targets

Type:
---

AlogP:
3.89

Polar Surface Area:
86.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5201681

Name:
N-(6-methoxy-1H-indazol-5-yl)-2-(p-tolylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-Show More⌵

Mol. Formula:
C22H19N5O3S

M.W.:
433.49

1 activity values

1 unique targets

Type:
---

AlogP:
4.33

Polar Surface Area:
112.76

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5200613

Name:
4-(4-Methoxyphenyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine

Mol. Formula:
C19H16N4O

M.W.:
316.36

2 activity values

2 unique targets

Type:
---

AlogP:
3.88

Polar Surface Area:
76.82

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5199694

Name:
(8Z,11S)-6-acetyl-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1Show More⌵

Mol. Formula:
C20H24O6

M.W.:
360.41

2 activity values

2 unique targets

Type:
---

AlogP:
3.09

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5209022

Name:
methyl (5S,6R,8R)-6-amino-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-16-oxShow More⌵

Mol. Formula:
C27H22N4O4

M.W.:
466.50

2 activity values

2 unique targets

Type:
---

AlogP:
3.62

Polar Surface Area:
100.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5208636

Name:
4,6-Bis(4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine

Mol. Formula:
C21H20N4O2

M.W.:
360.42

2 activity values

2 unique targets

Type:
---

AlogP:
3.90

Polar Surface Area:
75.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5207564

Name:
(R)-2-(3-(benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yloxy)propan-1-amine

Mol. Formula:
C17H16N4O2

M.W.:
308.34

10 activity values

3 unique targets

Type:
---

AlogP:
2.87

Polar Surface Area:
78.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5193304

Name:
6-Chloro-5-(2,6-dichlorophenyl)-2-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

Mol. Formula:
C18H11Cl3N4

M.W.:
389.67

2 activity values

2 unique targets

Type:
---

AlogP:
5.63

Polar Surface Area:
56.73

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS