Compounds

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3098903

Name:
N-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-2,6-difluoro-4-methoxybenShow More⌵

Mol. Formula:
C18H14ClF2N3O3

M.W.:
393.78

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3098902

Name:
2-Chloro-N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-6-fluoro-3-(trifShow More⌵

Mol. Formula:
C18H11Cl2F4N3O2

M.W.:
448.20

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3098897

Name:
N-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)furan-2-carboxamide

Mol. Formula:
C15H12ClN3O3

M.W.:
317.73

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
69.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3098895

Name:
2,4-Dichloro-N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)benzamide

Mol. Formula:
C17H12Cl3N3O2

M.W.:
396.66

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3098893

Name:
N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-2-fluoro-4-methoxy-6-(triShow More⌵

Mol. Formula:
C18H14ClF4N3O4S

M.W.:
479.84

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
82.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3098891

Name:
2-Chloro-N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-3-nitrobenzenesuShow More⌵

Mol. Formula:
C16H12Cl2N4O5S

M.W.:
443.27

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
116.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3098887

Name:
N-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)furan-2-sulfonamide

Mol. Formula:
C14H12ClN3O4S

M.W.:
353.79

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
86.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3098885

Name:
2,4-Dichloro-N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)benzenesulfonShow More⌵

Mol. Formula:
C16H12Cl3N3O3S

M.W.:
432.72

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3098881

Name:
N-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)benzamide

Mol. Formula:
C17H14ClN3O2

M.W.:
327.77

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3098880

Name:
N-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-3-(1-cyanoethyl)benzenesuShow More⌵

Mol. Formula:
C19H17ClN4O3S

M.W.:
416.89

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
97.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3098877

Name:
N-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)benzenesulfonamide

Mol. Formula:
C16H14ClN3O3S

M.W.:
363.83

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2420068

Name:
3-[2-(N-n-Butylcarbamoyloxy)ethoxy]-4,6-dimethylisothiazolo5,4-bpyridine

Mol. Formula:
C15H21N3O3S

M.W.:
323.42

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
73.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2419970

Name:
2-{2-[4-Nitrophenyl(piperazinyl)]ethyl}-4,6-dimethylisothiazolo[5,4-b]pyridShow More⌵

Mol. Formula:
C20H23N5O3S

M.W.:
413.50

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
84.51

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2419961

Name:
N,N-Bis(4,6-dimethyl-3-oxo-2,3-dihydroisothiazolo5,4-b]pyridin-2-ylmethyl)-Show More⌵

Mol. Formula:
C27H29N5O4S2

M.W.:
551.69

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
91.48

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2418898

Name:
4-((5-bromo-1H-benzo[d]imidazol-2-yl)methoxy)aniline

Mol. Formula:
C14H12BrN3O

M.W.:
318.17

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
63.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2418897

Name:
6-bromo-2-((4-nitrophenoxy)methyl)-1-(m-tolylsulfonyl)-1H-benzo[d]imidazole

Mol. Formula:
C21H16BrN3O5S

M.W.:
502.35

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
104.33

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2418896

Name:
6-bromo-1-(2,4-dimethoxyphenylsulfonyl)-2-((4-nitrophenoxy)methyl)-1H-benzoShow More⌵

Mol. Formula:
C22H18BrN3O7S

M.W.:
548.37

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
122.79

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2418894

Name:
6-bromo-1-(3-fluoro-2-methylphenylsulfonyl)-2-((4-nitrophenoxy)methyl)-1H-bShow More⌵

Mol. Formula:
C21H15BrFN3O5S

M.W.:
520.34

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
104.33

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2418893

Name:
3-(6-bromo-2-((4-nitrophenoxy)methyl)-1H-benzo[d]imidazol-1-ylsulfonyl)benzShow More⌵

Mol. Formula:
C21H13BrN4O5S

M.W.:
513.33