Compounds

ALA35934

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph
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Mol. Formula:
C19H17NO4

M.W.:
323.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
90.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA38168

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethy
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Cas Number:
132464-92-7

Mol. Formula:
C12H11NO4

M.W.:
233.22

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
90.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA37154

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen
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Mol. Formula:
C18H15NO4

M.W.:
309.32

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
90.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA417327

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph
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Mol. Formula:
C20H19NO4

M.W.:
337.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
90.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA36376

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 8-(3
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Cas Number:
132465-12-4

Mol. Formula:
C21H25N3O4

M.W.:
383.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
108.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA36649

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-py
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Mol. Formula:
C18H16N2O4

M.W.:
324.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
103.44

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA37081

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th
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Cas Number:
132465-10-2

Mol. Formula:
C16H13NO4S

M.W.:
315.35

68 activity values

40 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
90.55

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA37141

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph
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Cas Number:
132465-11-3

Mol. Formula:
C19H15NO4

M.W.:
321.33

24 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
90.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA37180

Name:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2
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Mol. Formula:
C19H17NO5

M.W.:
339.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
99.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS