Compounds

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2419939

Name:
7-Hydroxy-2-(quinolin-2-yl)-4H-chromen-4-one

Mol. Formula:
C18H11NO3

M.W.:
289.29

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
63.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2419938

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(4-isopropylphenyl)-prop-2-en-1-one

Mol. Formula:
C18H19NO2

M.W.:
281.36

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2419937

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C18H19NO4

M.W.:
313.35

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
81.78

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2419936

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Mol. Formula:
C18H19NO5

M.W.:
329.35

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
91.01

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2419935

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(3,5-bis-(trifluoromethyl)phenyl)prop-2-eShow More⌵

Mol. Formula:
C17H11F6NO2

M.W.:
375.27

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2419934

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one

Mol. Formula:
C15H12ClNO2

M.W.:
273.72

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2419933

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one

Mol. Formula:
C15H12FNO2

M.W.:
257.26

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2419932

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(3-methoxyphenyl)-prop-2-en-1-one

Mol. Formula:
C16H15NO3

M.W.:
269.30

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
72.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2419931

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(4-(methylthio)-phenyl)prop-2-en-1-one

Mol. Formula:
C16H15NO2S

M.W.:
285.37

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
63.32

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2419930

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one

Mol. Formula:
C17H17NO3

M.W.:
283.33

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
72.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2419929

Name:
(E)-1-(4-Amino-2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Mol. Formula:
C14H13NO2S

M.W.:
259.33

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
63.32

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2419927

Name:
7-Amino-2-(4-ethoxyphenyl)-4H-chromen-4-one

Mol. Formula:
C17H15NO3

M.W.:
281.31

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
65.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2419926

Name:
7-Amino-2-(5-methylthiophen-2-yl)-4H-chromen-4-one

Mol. Formula:
C14H11NO2S

M.W.:
257.31

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
56.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2419925

Name:
7-Amino-2-(5-methylfuran-2-yl)-4H-chromen-4-one

Mol. Formula:
C14H11NO3

M.W.:
241.25

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
69.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2419924

Name:
7-Hydroxy-2-(5-(4-methoxyphenyl)thiophen-2-yl)-4H-chromen-4-one

Mol. Formula:
C20H14O4S

M.W.:
350.40

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

ALA2419923

Name:
2-([1,1'-Biphenyl]-4-yl)-7-hydroxy-4H-chromen-4-one

Mol. Formula:
C21H14O3

M.W.:
314.34

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2419922

Name:
7-Hydroxy-2-(3-phenoxyphenyl)-4H-chromen-4-one

Mol. Formula:
C21H14O4

M.W.:
330.34

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2419921

Name:
7-Hydroxy-2-(4-isopropylphenyl)-4H-chromen-4-one

Mol. Formula:
C18H16O3

M.W.:
280.32

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2419920

Name:
4-(7-Hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid

Mol. Formula:
C16H10O5

M.W.:
282.25