Compounds

ALA5277926

Name:
(R)-1-(4'-fluoro-3,5-diisopropyl-6-propyl-[1,1'-bi
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Mol. Formula:
C23H31FO

M.W.:
342.50

Type:
---

AlogP:
6.75

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3359004

Name:
N'-(furan-3-carbonyl)-4-phenylfuran-2-carbohydrazi
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Mol. Formula:
C16H12N2O4

M.W.:
296.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
84.48

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3359003

Name:
N'-(furan-3-carbonyl)-3,4-diphenylfuran-2-carbohyd
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Mol. Formula:
C22H16N2O4

M.W.:
372.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
84.48

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3326188

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-pentylphenyl)fu
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Cas Number:
576170-87-1

Mol. Formula:
C23H23N3O6

M.W.:
437.45

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3326187

Name:
3-(4-butylphenyl)-N'-(4-hydroxy-3-nitrobenzoyl)fur
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Mol. Formula:
C22H21N3O6

M.W.:
423.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3326186

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-isopropylphenyl
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Mol. Formula:
C21H19N3O6

M.W.:
409.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3325456

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-propylphenyl)fu
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Mol. Formula:
C21H19N3O6

M.W.:
409.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3326185

Name:
3-(4-ethylphenyl)-N'-(4-hydroxy-3-nitrobenzoyl)fur
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Mol. Formula:
C20H17N3O6

M.W.:
395.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3326184

Name:
3-(4-chlorophenyl)-N'-(4-hydroxy-3-nitrobenzoyl)fu
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Mol. Formula:
C18H12ClN3O6

M.W.:
401.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3326183

Name:
3-(4-fluorophenyl)-N'-(4-hydroxy-3-nitrobenzoyl)fu
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Mol. Formula:
C18H12FN3O6

M.W.:
385.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3326182

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-methoxyphenyl)f
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Mol. Formula:
C19H15N3O7

M.W.:
397.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
143.94

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3326181

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-p-tolylfuran-2-car
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Mol. Formula:
C19H15N3O6

M.W.:
381.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3326180

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-m-tolylfuran-2-car
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Mol. Formula:
C19H15N3O6

M.W.:
381.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3326179

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-o-tolylfuran-2-car
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Mol. Formula:
C19H15N3O6

M.W.:
381.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3326178

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-phenylfuran-2-carb
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Mol. Formula:
C18H13N3O6

M.W.:
367.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3326177

Name:
N'-(6-hydroxybiphenylcarbonyl)-3,4-diphenylfuran-2
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Mol. Formula:
C30H22N2O4

M.W.:
474.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
91.57

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3326176

Name:
N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-
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Mol. Formula:
C25H20N2O5

M.W.:
428.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
100.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3326175

Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3,4-diphenylfuran-2-
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Mol. Formula:
C24H17N3O6

M.W.:
443.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
134.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3326174

Name:
N'-(4-hydroxy-3-(trifluoromethyl)benzoyl)-3,4-diph
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Mol. Formula:
C25H17F3N2O4

M.W.:
466.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
91.57

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3326173

Name:
N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-
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Mol. Formula:
C24H17BrN2O4

M.W.:
477.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
91.57

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS