Compounds

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ALA479128
Name:
1,2,6-trihydroxy-7,8-dimethoxy-3-methylanthraquino
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Mol. Formula:
C17H14O7
M.W.:
330.29

6 activity values

6 unique targets
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
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ALA478711
Name:
islandicin 4-methyl ether

Mol. Formula:
C16H12O5
M.W.:
284.27

6 activity values

6 unique targets
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
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ALA477724
Name:
Islandicin

Cas Number:
476-56-2

Mol. Formula:
C15H10O5
M.W.:
270.24

63 activity values

62 unique targets
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
94.83
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.54
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ALA511822
Name:
Taraxerol

Cas Number:
127-22-0

Mol. Formula:
C30H50O
M.W.:
426.73

19 activity values

14 unique targets
Type:
Small molecule
AlogP:
8.17
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.39
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ALA463597
Name:
erythroglaucin

Cas Number:
476-57-3

Mol. Formula:
C16H12O6
M.W.:
300.27

11 activity values

9 unique targets
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
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ALA29489
Name:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid butyl es
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Cas Number:
136944-10-0

Mol. Formula:
C13H16O4
M.W.:
236.27

36 activity values

24 unique targets
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE