Compounds

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2228188

Name:
(Z)-3-benzyl-5-(4-hydroxybenzylidene)furan-2(5H)-o
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Mol. Formula:
C18H14O3

M.W.:
278.31

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2228187

Name:
(Z)-3-benzyl-5-(3-hydroxybenzylidene)furan-2(5H)-o
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Mol. Formula:
C18H14O3

M.W.:
278.31

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2228186

Name:
(Z)-3-benzyl-5-(2-hydroxybenzylidene)furan-2(5H)-o
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Mol. Formula:
C18H14O3

M.W.:
278.31

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2228185

Name:
(5Z)-3-Benzyl-5-(4-phenylbenzylidene)furan-2(5H)-o
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Mol. Formula:
C24H18O2

M.W.:
338.41

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2228184

Name:
(5Z)-3-Benzyl-5-[3-(N,N-dimethylamino)benzylidene]
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Mol. Formula:
C20H19NO2

M.W.:
305.38

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2228183

Name:
(5Z)-3-Benzyl-5-(cyanobenzylidene)furan-2(5H)-one

Mol. Formula:
C19H13NO2

M.W.:
287.32

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
50.09

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2228182

Name:
(5Z)-3-Benzyl-5-(2-trifluoromethylbenzylidene)fura
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Mol. Formula:
C19H13F3O2

M.W.:
330.31

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228181

Name:
(5Z)-3-Benzyl-5-(3-trifluoromethylbenzylidene)fura
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Mol. Formula:
C19H13F3O2

M.W.:
330.31

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228180

Name:
(5Z)-3-Benzyl-5-(4-trifluoromethylbenzylidene)fura
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Mol. Formula:
C19H13F3O2

M.W.:
330.31

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228179

Name:
(5Z)-3-Benzyl-5-(4-cyanobenzylidene)furan-2(5H)-on
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Mol. Formula:
C19H13NO2

M.W.:
287.32

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
50.09

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2228178

Name:
(5Z)-3-Benzyl-5-(pentafluorobenzylidene)furan-2(5H
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Mol. Formula:
C18H9F5O2

M.W.:
352.26

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2228177

Name:
(5Z)-3-Benzyl-5-(2-bromobenzylidene)furan-2(5H)-on
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Mol. Formula:
C18H13BrO2

M.W.:
341.20

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2228176

Name:
(5Z)-3-Benzyl-5-(4-ethylbenzylidene)furan-2(5H)-on
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Mol. Formula:
C20H18O2

M.W.:
290.36

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2228175

Name:
(5Z)-3-Benzyl-5-(2-methylbenzylidene)furan-2(5H)-o
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Mol. Formula:
C19H16O2

M.W.:
276.34

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2228174

Name:
(5Z)-3-Benzyl-5-(2-chlorobenzylidene)furan-2(5H)-o
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Mol. Formula:
C18H13ClO2

M.W.:
296.75

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2228173

Name:
(5Z)-3-Benzyl-5-(2-fluorobenzylidene)furan-2(5H)-o
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Mol. Formula:
C18H13FO2

M.W.:
280.30

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2228172

Name:
(5Z)-3-Benzyl-5-(3-fluorobenzylidene)furan-2(5H)-o
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Mol. Formula:
C18H13FO2

M.W.:
280.30

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2228171

Name:
(Z)-3-benzyl-5-(4-bromobenzylidene)furan-2(5H)-one

Mol. Formula:
C18H13BrO2

M.W.:
341.20