Compounds

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3799780

Name:
7-Chloro-1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-
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Mol. Formula:
C12H13Cl2N3

M.W.:
270.16

21 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA3797661

Name:
1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-7-fluoro-
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Mol. Formula:
C12H13ClFN3

M.W.:
253.71

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA3797854

Name:
6-Chloro-1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-
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Mol. Formula:
C12H13Cl2N3

M.W.:
270.16

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA3800446

Name:
1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-6-fluoro-
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Mol. Formula:
C12H13ClFN3

M.W.:
253.71

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA3798967

Name:
5-Bromo-1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-1
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Mol. Formula:
C12H13BrClN3

M.W.:
314.61

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA3800398

Name:
1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-5-fluoro-
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Mol. Formula:
C12H13ClFN3

M.W.:
253.71

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA3798638

Name:
4-Bromo-1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-1
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Mol. Formula:
C12H13BrClN3

M.W.:
314.61

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA3799346

Name:
1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-4-fluoro-
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Mol. Formula:
C12H13ClFN3

M.W.:
253.71

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA3797481

Name:
1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-1H-indole
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Mol. Formula:
C12H14ClN3

M.W.:
235.72

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4170657

Name:
rac-5-(4-Bromophenyl)-3-(3-(4-(2-methoxyphenyl)pip
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Mol. Formula:
C24H30BrClN4O4

M.W.:
553.89

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
85.35

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4159967

Name:
rac-5-(4-Chlorophenyl)-3-(3-(4-(2-methoxyphenyl)pi
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Mol. Formula:
C24H30Cl2N4O4

M.W.:
509.43

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
85.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3971046

Name:
(S)-3-Chloro-2-fluoro-N-{1-[2-(2-isopropoxyphenoxy
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Mol. Formula:
C21H26ClFN2O4S

M.W.:
456.97

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3956998

Name:
3-Chloro-N-{[1-(2-(2-methoxyphenoxy)ethyl)piperidi
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Mol. Formula:
C21H27ClN2O4S

M.W.:
438.98

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3948706

Name:
(S)-3-Chloro-2-fluoro-N-{1-[2-(2-methoxyphenoxy)et
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Mol. Formula:
C19H22ClFN2O4S

M.W.:
428.91

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3941446

Name:
(R)-5-Chloro-2-fluoro-N-{1-[2-(2-isopropoxyphenoxy
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Mol. Formula:
C21H26ClFN2O4S

M.W.:
456.97

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3936053

Name:
(R)-3-Chloro-2-fluoro-N-{1-[2-(2-isopropoxyphenoxy
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Mol. Formula:
C21H26ClFN2O4S

M.W.:
456.97

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3929425

Name:
(S)-5-Chloro-2-fluoro-N-{1-[2-(2-isopropoxyphenoxy
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Mol. Formula:
C21H26ClFN2O4S

M.W.:
456.97

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3924620

Name:
(S)-5-Chloro-2-fluoro-N-{1-[2-(2-methoxyphenoxy)et
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Mol. Formula:
C19H22ClFN2O4S

M.W.:
428.91

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3914505

Name:
(R)-3-Chloro-2-fluoro-N-{1-[2-(2-methoxyphenoxy)et
Show More⌵

Mol. Formula:
C19H22ClFN2O4S

M.W.:
428.91