Compounds

ALA5287710

Name:
(2-Hydroxyethyl)-{6-[(2-iodopyridin-3-yl)oxy]hexyl
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Mol. Formula:
C22H33IN2O5S

M.W.:
564.49

Type:
---

AlogP:
2.69

Polar Surface Area:
42.35

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5286723

Name:
1-(2-Hydroxyethyl)-1-(2-iodobenzyl)piperidin-1-ium
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Mol. Formula:
C21H28INO4S

M.W.:
517.43

Type:
---

AlogP:
2.78

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5285741

Name:
1-(2-Hydroxyethyl)-1-[2-(4-iodophenyl)ethyl]pyrrol
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Mol. Formula:
C21H28INO4S

M.W.:
517.43

Type:
---

AlogP:
2.44

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5284992

Name:
1-(2-Hydroxyethyl)-1-[2-(5-iodothiophen-2-yl)ethyl
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Mol. Formula:
C19H26INO4S2

M.W.:
523.46

Type:
---

AlogP:
2.50

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5284454

Name:
4-(2-Hydroxyethyl)-4-(4-iodobenzyl)morpholin-4-ium
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Mol. Formula:
C13H19BrINO2

M.W.:
428.11

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

ALA5284346

Name:
(2-Hydroxyethyl)-(6-iodohex-5-ynyl)-dimethylammoni
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Mol. Formula:
C17H26INO4S

M.W.:
467.37

Type:
---

AlogP:
1.62

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5284116

Name:
(3-Hydroxypropyl)-[4-(2-iodophenoxy)butyl]-dimethy
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Mol. Formula:
C15H25BrINO2

M.W.:
458.18

Type:
---

AlogP:
2.91

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5283561

Name:
(2-Hydroxyethyl)-[2-(3-iodophenyl)ethyl]-dimethyla
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Mol. Formula:
C13H22INO4S

M.W.:
415.29

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

ALA5283547

Name:
1-(2-Hydroxyethyl)-1-(6-iodohex-5-ynyl)-pyrrolidin
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Mol. Formula:
C19H28INO4S

M.W.:
493.41

Type:
---

AlogP:
2.16

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5282976

Name:
(2-Hydroxyethyl)-[2-(5-iodothiophen-2-yl)ethyl]-di
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Mol. Formula:
C17H24INO4S2

M.W.:
497.42

Type:
---

AlogP:
1.96

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5281921

Name:
1-(2-Hydroxyethyl)-1-[2-(4-iodophenoxy)ethyl]pyrro
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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]-d
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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]-dimethyla
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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-
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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 B
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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]-di
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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
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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]pyrro
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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]-dimethyl
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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

ALA5290955

Name:
(2-Hydroxyethyl)-(3-iodobenzyl)-dimethylammonium M
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Mol. Formula:
C12H20INO4S

M.W.:
401.27

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