Compounds

ALA2289350

Name:
2-acetyl-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic
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Mol. Formula:
C15H14N2O6

M.W.:
318.29

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
107.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2289348

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-propylbenzoic
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Mol. Formula:
C16H18N2O5

M.W.:
318.33

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2289341

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-(trifluoromet
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Mol. Formula:
C14H11F3N2O5

M.W.:
344.25

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2289340

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-(methylamino)
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Mol. Formula:
C14H15N3O5

M.W.:
305.29

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
102.80

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2289339

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-(1H-pyrrol-1-
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Mol. Formula:
C17H15N3O5

M.W.:
341.32

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
95.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2289338

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-iodobenzoic a
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Mol. Formula:
C13H11IN2O5

M.W.:
402.14

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2289337

Name:
5-bromo-2-(4,6-dimethoxypyrimidin-2-yloxy)benzoic
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Mol. Formula:
C13H11BrN2O5

M.W.:
355.14

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2289336

Name:
5-chloro-2-(4,6-dimethoxypyrimidin-2-yloxy)benzoic
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Mol. Formula:
C13H11ClN2O5

M.W.:
310.69

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2289335

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-fluorobenzoic
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Mol. Formula:
C13H11FN2O5

M.W.:
294.24

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2289334

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-isopropoxyben
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Mol. Formula:
C16H18N2O6

M.W.:
334.33

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
100.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2289333

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-methoxybenzoi
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Mol. Formula:
C14H14N2O6

M.W.:
306.27

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
100.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2289332

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-5-methylbenzoic
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Mol. Formula:
C14H14N2O5

M.W.:
290.28

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2289331

Name:
4-amino-2-(4,6-dimethoxypyrimidin-2-yloxy)benzoic
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Mol. Formula:
C13H13N3O5

M.W.:
291.26

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
116.79

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2289330

Name:
3-chloro-2-(4,6-dimethoxypyrimidin-2-yloxy)benzoic
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Mol. Formula:
C13H11ClN2O5

M.W.:
310.69

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2289329

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-3-fluorobenzoic
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Mol. Formula:
C13H11FN2O5

M.W.:
294.24

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2289328

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-3-methylbenzoic
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Cas Number:
113761-61-8

Mol. Formula:
C14H14N2O5

M.W.:
290.27

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
90.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2289312

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(2-ethoxyetho
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Mol. Formula:
C17H20N2O7

M.W.:
364.35

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
109.23

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289311

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(1H-pyrrol-1-
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Mol. Formula:
C17H15N3O5

M.W.:
341.32

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
95.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2289309

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(propylthio)b
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Mol. Formula:
C16H18N2O5S

M.W.:
350.40

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
90.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2289308

Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(ethylthio)be
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Mol. Formula:
C15H16N2O5S

M.W.:
336.37

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
90.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS