Compounds

ALA3216864

Name:
(1E)-1-pyridin-2-ylethan-1-one N-(2-aminophenyl)thiosemicarbazone dihydrochShow More⌵

Mol. Formula:
C14H17Cl2N5S

M.W.:
358.30

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1161181

Name:
2-(2-Phenyl-imidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-3H-imidazol-1-ium

Mol. Formula:
C16H14N4

M.W.:
262.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
41.69

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1161180

Name:
C-(2-Phenyl-imidazo[1,2-a]pyridin-6-yl)-C-pyrrolidin-1-yl-methylene-ammoniuShow More⌵

Mol. Formula:
C18H18N4

M.W.:
290.37

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
44.39

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1161179

Name:
C-Morpholin-4-yl-C-(2-phenyl-imidazo[1,2-a]pyridin-6-yl)-methylene-ammonium

Mol. Formula:
C18H18N4O

M.W.:
306.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
53.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1161178

Name:
2-[N'-(2-Phenyl-imidazo[1,2-a]pyridin-6-ylmethylene)-hydrazino]-3,4,5,6-tetShow More⌵

Mol. Formula:
C18H18N6

M.W.:
318.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
66.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1161177

Name:
[2-(4-imidazo[1,2-a]pyridin-2-ylbenzylidene)hydrazino](pyrrolidin-1-yl)methShow More⌵

Mol. Formula:
C19H20N6

M.W.:
332.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
68.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1161175

Name:
6,4-di-[2-(N'-Methylene-hydrazino)-3,4,5,6-tetrahydro-pyrimidin-1-ium]-PropShow More⌵

Mol. Formula:
C27H30N10

M.W.:
494.61

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1161174

Name:
6,4-di[2-(N'-Methylene-hydrazino)-4,5-dihydro-3H-imidazol-1-ium] Propenyl-2Show More⌵

Mol. Formula:
C25H26N10

M.W.:
466.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1161173

Name:
4,6-di[2-Propenyl-4,5-dihydro-thiazol-3-ium]-Methyl-2-p-tolyl-imidazo[1,2-aShow More⌵

Mol. Formula:
C23H20N4S2

M.W.:
416.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
42.02

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1161172

Name:
2,6-di[(N'-Ethylidene-hydrazino)-3,4,5,6-tetrahydro-pyrimidin-1-ium]-imidazShow More⌵

Mol. Formula:
C17H22N10

M.W.:
366.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1161171

Name:
4,6-di[2-(N'-Ethylidene-hydrazino)-4,5-dihydro-3H-imidazol-1-ium]-2,6-DimetShow More⌵

Mol. Formula:
C15H18N10

M.W.:
338.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.90

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1161170

Name:
2,6-di[guanylhydrazones]-imidazo[1,2-a]pyridine-

Mol. Formula:
C19H26N10

M.W.:
394.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
120.26

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1161169

Name:
4,6-di-[(N'-Methylene-hydrazino)-4,5-dihydro-3H-imidazol-1-ium]-6-Methyl-2-Show More⌵

Mol. Formula:
C23H24N10

M.W.:
440.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1161168

Name:
4,6-di[-(N'-Methylene-hydrazino)-3,4,5,6-tetrahydro-pyrimidin-1-ium]-MethylShow More⌵

Mol. Formula:
C25H28N10

M.W.:
468.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1161166

Name:
C-(4-Imidazo[1,2-a]pyridin-2-yl-phenyl)-C-piperidin-1-yl-methylene-ammonium

Mol. Formula:
C19H20N4

M.W.:
304.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
44.39

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1161165

Name:
[2-(4-imidazo[1,2-a]pyridin-2-ylbenzylidene)hydrazino](morpholin-4-yl)methaShow More⌵

Mol. Formula:
C19H20N6O

M.W.:
348.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
78.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1161164

Name:
2-[N'-(4-Imidazo[1,2-a]pyridin-2-yl-benzylidene)-hydrazino]-3,4,5,6-tetrahyShow More⌵

Mol. Formula:
C18H18N6

M.W.:
318.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
66.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1161162

Name:
4,6-di-[(N'-Methylene-hydrazino)-4,5-dihydro-3H-imidazol-1-ium]-Methyl-2-p-Show More⌵

Mol. Formula:
C21H22N10

M.W.:
414.48

14 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
114.86

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1161161

Name:
2-[N'-(4-Imidazo[1,2-a]pyridin-2-yl-benzylidene)-hydrazino]-4,5-dihydro-3H-Show More⌵

Mol. Formula:
C17H16N6

M.W.:
304.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
66.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1161160

Name:
2-(4-Imidazo[1,2-a]pyridin-2-yl-phenyl)-4,5-dihydro-3H-imidazol-1-ium

Mol. Formula:
C16H14N4

M.W.:
262.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
41.69

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS