Compounds

ALA3741052

Name:
7-(4-bromobenzyloxy)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-chromen-4-one

Mol. Formula:
C24H19BrO6

M.W.:
483.31

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
78.13

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3739836

Name:
2-(4-(benzyloxycarbonylamino)phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl acetatShow More⌵

Mol. Formula:
C25H19NO7

M.W.:
445.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
115.07

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3740766

Name:
5,7-dimethoxy-2-phenyl-6-(thiophen-3-yl)-4H-chromen-4-one

Mol. Formula:
C21H16O4S

M.W.:
364.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
48.67

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3741864

Name:
5-hydroxy-7-methoxy-2-phenyl-6-(thiophen-3-yl)-4H-chromen-4-one

Mol. Formula:
C20H14O4S

M.W.:
350.39

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
59.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3740337

Name:
5,6,7-trimethoxy-2-(thiophen-2-yl)-4H-chromen-4-one

Mol. Formula:
C16H14O5S

M.W.:
318.35

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
57.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3741744

Name:
2-(4-hydroxy-3-methoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one

Mol. Formula:
C19H18O7

M.W.:
358.35

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
87.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3740881

Name:
2-(2,4-difluorophenyl)-5,6,7-trimethoxy-4H-chromen-4-one

Mol. Formula:
C18H14F2O5

M.W.:
348.30

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
57.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3742307

Name:
2-(biphenyl-4-yl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one

Mol. Formula:
C23H18O5

M.W.:
374.39

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
68.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3741139

Name:
2-(furan-2-yl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one

Mol. Formula:
C15H12O6

M.W.:
288.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
82.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3742073

Name:
2-(4-(benzyloxy)phenyl)-5,7-dimethoxy-4H-chromen-4-one

Mol. Formula:
C24H20O5

M.W.:
388.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
57.90

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3741913

Name:
2-(4-chlorophenyl)-5,7-dimethoxy-4H-chromen-4-one

Mol. Formula:
C17H13ClO4

M.W.:
316.74

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3739546

Name:
4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)benzonitrile

Mol. Formula:
C16H9NO4

M.W.:
279.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
94.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3742081

Name:
N-(4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenyl)-4-(pyrrolidin-1-ylmethyl)Show More⌵

Mol. Formula:
C27H24N2O5

M.W.:
456.50

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
103.01

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3739990

Name:
2-(biphenyl-4-yl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one

Mol. Formula:
C22H16O5

M.W.:
360.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3741920

Name:
5,6,7-trihydroxy-2-(thiophen-2-yl)-4H-chromen-4-one

Mol. Formula:
C13H8O5S

M.W.:
276.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
90.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3740356

Name:
5,6,7-trihydroxy-2-(thiophen-3-yl)-4H-chromen-4-one

Mol. Formula:
C13H8O5S

M.W.:
276.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
90.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3740878

Name:
2-(furan-3-yl)-5,6,7-trihydroxy-4H-chromen-4-one

Mol. Formula:
C13H8O6

M.W.:
260.20

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
104.04

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3739950

Name:
2-(furan-2-yl)-5,6,7-trihydroxy-4H-chromen-4-one

Mol. Formula:
C13H8O6

M.W.:
260.20

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
104.04

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS