Compounds

ALA5271776

Name:
1-(2-Hydroxyethyl)-1-[2-(2-iodophenoxy)ethyl]pyrrolidin-1-ium 4-MethylbenzeShow More⌵

Mol. Formula:
C21H28INO5S

M.W.:
533.43

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

ALA5271174

Name:
1-(2-Hydroxyethyl)-1-(4-iodobenzyl)pyrrolidin-1-ium 4-MethylbenzenesulfonatShow More⌵

Mol. Formula:
C20H26INO4S

M.W.:
503.40

Type:
---

AlogP:
2.39

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5271118

Name:
1-(2-Hydroxyethyl)-1-(3-iodobenzyl)pyrrolidin-1-ium Methanesulfonate

Mol. Formula:
C14H22INO4S

M.W.:
427.30

Type:
---

AlogP:
2.39

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5270837

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

Mol. Formula:
C18H31BrIN2O4+

M.W.:
546.26

Type:
---

AlogP:
3.99

Polar Surface Area:
72.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5270188

Name:
1-(2-Hydroxyethyl)-1-(4-iodobenzyl)pyrrolidin-1-ium Bromide

Mol. Formula:
C13H19BrINO

M.W.:
412.11

Type:
---

AlogP:
2.39

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5269557

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

Mol. Formula:
C13H21BrINO

M.W.:
414.13

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

ALA5269489

Name:
(2-Hydroxyethyl)-[3-(3-iodo-4-methoxyphenyl)propyl]-dimethylammonium 4-MethShow More⌵

Mol. Formula:
C21H30INO5S

M.W.:
535.44

Type:
---

AlogP:
2.30

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5269180

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

Mol. Formula:
C21H26INO4S

M.W.:
515.41

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

ALA5268716

Name:
(2-Hydroxyethyl)-[2-(3-iodo-4-methoxyphenyl)ethyl]-dimethylammonium 4-MethyShow More⌵

Mol. Formula:
C20H28INO5S

M.W.:
521.42

Type:
---

AlogP:
1.91

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5268270

Name:
(2-Hydroxyethyl)-{4-[(2-iodo-6-methylpyridin-3-yl)oxy]butyl}-dimethylammoniShow More⌵

Mol. Formula:
C14H24BrIN2O2

M.W.:
459.17

Type:
---

AlogP:
2.22

Polar Surface Area:
42.35

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

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