Compounds

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ALA4525573
Name:
2,7-dihydroxy-5-(1-methoxyethyl)-1-methyl-9,10-dih
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Mol. Formula:
C18H20O3
M.W.:
284.36

5 activity values

2 unique targets
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4519013
Name:
7-carboxy-2-hydroxy-1-methyl-8-vinyl-9,10-dihydrop
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Mol. Formula:
C18H16O3
M.W.:
280.32

5 activity values

2 unique targets
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4584575
Name:
7-carboxy-2-hydroxy-1-methyl-6-vinyl-9,10-dihydrop
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Mol. Formula:
C18H16O3
M.W.:
280.32

13 activity values

4 unique targets
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4582456
Name:
6-carboxy-2-hydroxy-1-methyl-8-vinyl-9,10-dihydrop
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Mol. Formula:
C18H16O3
M.W.:
280.32

4 activity values

2 unique targets
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4562825
Name:
7-carboxy-2-hydroxy-1-methyl-5-vinyl-9,10-dihydrop
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Mol. Formula:
C18H16O3
M.W.:
280.32

6 activity values

2 unique targets
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1233636
Name:
Indoxyl sulfate

Cas Number:
487-94-5

Mol. Formula:
C8H7NO4S
M.W.:
213.21

36 activity values

11 unique targets
Type:
Small molecule
AlogP:
1.35
Polar Surface Area:
79.39
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE