Compounds

ALA5267489

Name:
(2-Hydroxyethyl)-[2-(3,5-diiodo-4-methoxyphenyl)ethyl]-dimethylammonium 4-MShow More⌵

Mol. Formula:
C20H27I2NO5S

M.W.:
647.31

Type:
---

AlogP:
2.52

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5266835

Name:
(2-Hydroxyethyl)-[6-(4-iodo-3-nitrophenoxy)hexyl]-dimethylammonium Bromide

Mol. Formula:
C16H27BrIN2O4+

M.W.:
518.21

Type:
---

AlogP:
3.21

Polar Surface Area:
72.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5266744

Name:
(3-Hydroxypropyl)-[6-(4-iodo-3-nitrophenoxy)hexyl]-dimethylammonium Bromide

Mol. Formula:
C17H29BrIN2O4+

M.W.:
532.24

Type:
---

AlogP:
3.60

Polar Surface Area:
72.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5266612

Name:
(2-Hydroxyethyl)-[4-(2-iodophenoxy)butyl]-dimethylammonium Bromide

Mol. Formula:
C14H23BrINO2

M.W.:
444.15

Type:
---

AlogP:
2.52

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5266004

Name:
3-Hydroxy-1-(2-iodobenzyl)-1-methylpiperidin-1-ium 4-Methylbenzenesulfonate

Mol. Formula:
C20H26INO4S

M.W.:
503.40

Type:
---

AlogP:
2.39

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5282661

Name:
3-Hydroxy-1-[2-(4-iodophenyl)ethyl]quinuclidin-1-ium 4-MethylbenzenesulfonaShow More⌵

Mol. Formula:
C22H28INO4S

M.W.:
529.44

Type:
---

AlogP:
2.44

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5282529

Name:
(2-Hydroxyethyl)-(2-iodobenzyl)-dimethylammonium 4-Methylbenzenesulfonate

Mol. Formula:
C18H24INO4S

M.W.:
477.36

Type:
---

AlogP:
1.86

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5281921

Name:
1-(2-Hydroxyethyl)-1-[2-(4-iodophenoxy)ethyl]pyrrolidin-1-ium Bromide

Mol. Formula:
C14H21BrINO2

M.W.:
442.14

Type:
---

AlogP:
2.27

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5281491

Name:
(3-Hydroxypropyl)-[2-(5-iodothiophen-2-yl)ethyl]-dimethylammonium 4-MethylbShow More⌵

Mol. Formula:
C18H26INO4S2

M.W.:
511.45

Type:
---

AlogP:
2.35

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5280090

Name:
(2-Hydroxyethyl)-[2-(4-iodophenyl)ethyl]-dimethylammonium 4-MethylbenzenesuShow More⌵

Mol. Formula:
C19H26INO4S

M.W.:
491.39

Type:
---

AlogP:
1.90

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5279045

Name:
Diethyl-(2-hydroxyethyl)-(2-iodobenzyl)ammonium 4-Methylbenzenesulfonate

Mol. Formula:
C20H28INO4S

M.W.:
505.42

Type:
---

AlogP:
2.64

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5278786

Name:
(2-Hydroxyethyl)-(4-iodobenzyl)-dimethylammonium Bromide

Mol. Formula:
C11H17BrINO

M.W.:
386.07

Type:
---

AlogP:
1.86

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5278214

Name:
(4-Hydroxybutyl)-[2-(5-iodothiophen-2-yl)ethyl]-dimethylammonium 4-MethylbeShow More⌵

Mol. Formula:
C19H28INO4S2

M.W.:
525.47

Type:
---

AlogP:
2.74

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5278167

Name:
4-(2-Hydroxyethyl)-4-(2-iodobenzyl)morpholin-4-ium Chloride

Mol. Formula:
C13H19ClINO2

M.W.:
383.66

Type:
---

AlogP:
1.63

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5277904

Name:
1-(2-Hydroxyethyl)-1-[6-(3-iodophenoxy)hexyl]pyrrolidin-1-ium Bromide

Mol. Formula:
C18H29BrINO2

M.W.:
498.24

Type:
---

AlogP:
3.83

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5277745

Name:
(2-Hydroxyethyl)-[2-(4-iodophenoxy)ethyl]-dimethylammonium Bromide

Mol. Formula:
C12H19BrINO2

M.W.:
416.10

Type:
---

AlogP:
1.74

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5276946

Name:
(4-Hydroxybutyl)-[4-(2-iodophenoxy)butyl]-dimethylammonium Bromide

Mol. Formula:
C16H27BrINO2

M.W.:
472.21

Type:
---

AlogP:
3.30

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5276638

Name:
1-(2-Hydroxyethyl)-1-[2-(3-iodophenoxy)ethyl]pyrrolidin-1-ium Bromide

Mol. Formula:
C14H21BrINO2

M.W.:
442.14

Type:
---

AlogP:
2.27

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5276369

Name:
3-Hydroxy-1-[2-(4-iodophenyl)ethyl]-1-methylpiperidin-1-ium 4-MethylbenzeneShow More⌵

Mol. Formula:
C21H28INO4S

M.W.:
517.43

Type:
---

AlogP:
2.44

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5275622

Name:
1-(2-Hydroxyethyl)-1-[4-(2-iodophenoxy)butyl]pyrrolidin-1-ium Bromide

Mol. Formula:
C16H25BrINO2

M.W.:
470.19

Type:
---

AlogP:
3.05

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS