Compounds

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3216808

Name:
1,20-di(1H-imidazol-1-yl)icosane Hydrochloride

Mol. Formula:
C26H48Cl2N4

M.W.:
487.60

Type:
Small molecule

AlogP:
7.80

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3216135

Name:
1,18-di(1H-imidazol-1-yl)octadecane Hydrochloride

Mol. Formula:
C24H44Cl2N4

M.W.:
459.55

4 activity values

Type:
Small molecule

AlogP:
7.02

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3216130

Name:
1,11-di(1H-imidazol-1-yl)undecane Hydrochloride

Mol. Formula:
C17H30Cl2N4

M.W.:
361.36

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2323440

Name:
1,14-Bis-(3-methyl-1H-imidazolium-1-yl)tetradecane dichloride

Mol. Formula:
C22H40Cl2N4

M.W.:
431.50

15 activity values

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2323439

Name:
1,13-Bis-(3-methyl-1H-imidazolium-1-yl)tridecane dichloride

Mol. Formula:
C21H38Cl2N4

M.W.:
417.47

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2323438

Name:
1,12-Bis-(3-methyl-1H-imidazolium-1-yl)dodecane dichloride

Mol. Formula:
C20H36Cl2N4

M.W.:
403.44

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2323437

Name:
1,11-Bis-(3-methyl-1H-imidazolium-1-yl)undecane dichloride

Mol. Formula:
C19H34Cl2N4

M.W.:
389.42

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2323435

Name:
1,10-Bis-(3-methyl-1H-imidazolium-1-yl)decane dichloride

Mol. Formula:
C18H32Cl2N4

M.W.:
375.39

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2323434

Name:
1,8-Bis-(3-methyl-1H-imidazolium-1-yl)octane dichloride

Mol. Formula:
C16H28Cl2N4

M.W.:
347.33

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2323433

Name:
1,6-Bis-(3-methyl-1H-imidazolium-1-yl)hexane dichloride

Mol. Formula:
C14H24Cl2N4

M.W.:
319.28

7 activity values

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2323432

Name:
1,4-Bis-(3-methyl-1H-imidazolium-1-yl)butane dichloride

Mol. Formula:
C12H20Cl2N4

M.W.:
291.23

7 activity values

Type:
Small molecule

AlogP:
0.42

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2323427

Name:
1,18-Bis-(3-methyl-1H-imidazolium-1-yl)octadecane dichloride

Mol. Formula:
C26H48Cl2N4

M.W.:
487.60

11 activity values

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2323425

Name:
1,16-Bis-(3-methyl-1H-imidazolium-1-yl)hexadecane dichloride

Mol. Formula:
C24H44Cl2N4

M.W.:
459.55

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2323423

Name:
1,15-Bis-(3-methyl-1H-imidazolium-1-yl)pentadecane dichloride

Mol. Formula:
C23H42Cl2N4

M.W.:
445.52

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
17.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1923944

Name:
1,15-di(1H-imidazol-1-yl)pentadecane Hydrochloride

Mol. Formula:
C21H37ClN4

M.W.:
381.01

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1923943

Name:
1,14-di(1H-imidazol-1-yl)tetradecane Hydrochloride

Mol. Formula:
C20H35ClN4

M.W.:
366.98

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1923941

Name:
1,13-di(1H-imidazol-1-yl)tridecane Hydrochloride

Mol. Formula:
C19H33ClN4

M.W.:
352.95

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1923939

Name:
1,12-di(1H-imidazol-1-yl)dodecane Hydrochloride

Mol. Formula:
C18H31ClN4

M.W.:
338.93

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1923935

Name:
1,10-di(1H-imidazol-1-yl)decane Hydrochloride

Mol. Formula:
C16H27ClN4

M.W.:
310.87