Compounds

Type:
Small molecule

AlogP:
-1.01

Polar Surface Area:
130.83

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA402062

Name:
4-propynyl-1-beta-d-ribofuranosylpyrazole-3-carbox
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Mol. Formula:
C12H15N3O5

M.W.:
281.27

Type:
Small molecule

AlogP:
-2.04

Polar Surface Area:
130.83

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA163583

Name:
3-Methoxy-2-(4-methoxy-phenyl)-7-methyl-chromen-4-
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Mol. Formula:
C18H16O4

M.W.:
296.32

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA349475

Name:
6-Chloro-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-
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Mol. Formula:
C16H11ClO4

M.W.:
302.71

8 activity values

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA163467

Name:
7-Chloro-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-
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Mol. Formula:
C16H11ClO4

M.W.:
302.71

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA350583

Name:
2-(4-Hydroxy-phenyl)-7-iodo-3-methoxy-chromen-4-on
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Mol. Formula:
C16H11IO4

M.W.:
394.16

8 activity values

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA162912

Name:
3,5-Dimethoxy-2-(4-methoxy-phenyl)-chromen-4-one

Mol. Formula:
C18H16O5

M.W.:
312.32

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
57.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA351958

Name:
6-Hydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4
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Mol. Formula:
C16H12O5

M.W.:
284.27

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA165064

Name:
5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chrom
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Cas Number:
1592-70-7

Mol. Formula:
C16H12O6

M.W.:
300.27

85 activity values

57 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA349724

Name:
5-Hydroxy-2-(4-hydroxy-phenyl)-3,7-dimethoxy-chrom
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Cas Number:
3301-49-3

Mol. Formula:
C17H14O6

M.W.:
314.29

26 activity values

15 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA166029

Name:
2-(4-Hydroxy-phenyl)-3,5,7-trimethoxy-chromen-4-on
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Cas Number:
59259-80-2

Mol. Formula:
C18H16O6

M.W.:
328.32

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
78.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA165964

Name:
7-Hydroxy-2-(4-hydroxy-phenyl)-3-methoxy-5-methyl-
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Mol. Formula:
C17H14O5

M.W.:
298.29

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA350720

Name:
2-(3,4-Dimethoxy-phenyl)-5,7-dihydroxy-3-methoxy-c
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Cas Number:
14549-84-9

Mol. Formula:
C18H16O7

M.W.:
344.32

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA161957

Name:
5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c
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Cas Number:
27782-63-4

Mol. Formula:
C18H16O7

M.W.:
344.32

54 activity values

34 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA349895

Name:
5,7-Dihydroxy-3,8-dimethoxy-2-(4-methoxy-phenyl)-c
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Cas Number:
1570-09-8

Mol. Formula:
C18H16O7

M.W.:
344.32

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA348970

Name:
2-(4-Hydroxy-phenyl)-3,7-dimethoxy-5-methyl-chrome
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Mol. Formula:
C18H16O5

M.W.:
312.32

19 activity values

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
68.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA162229

Name:
2-(4-Hydroxy-phenyl)-3,7-dimethoxy-chromen-4-one

Mol. Formula:
C17H14O5

M.W.:
298.29

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
68.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA162228

Name:
2-(4-Hydroxy-phenyl)-3,5-dimethoxy-chromen-4-one

Mol. Formula:
C17H14O5

M.W.:
298.29

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
68.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA163598

Name:
2-(4-Hydroxy-phenyl)-6-isopropyl-3-methoxy-chromen
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Mol. Formula:
C19H18O4

M.W.:
310.35

8 activity values