Compounds

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ALA3349337
Name:
Estradiol sulfate

Mol. Formula:
C18H26O6S
M.W.:
370.47

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.76
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ALA2074589
Name:
Indoxyl glucuronide

Cas Number:
35804-66-1

Mol. Formula:
C14H15NO7
M.W.:
309.27

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
-0.56
Polar Surface Area:
132.24
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
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ALA2074585
Name:
Estradiol glucuronide sulfate

Mol. Formula:
C24H32O11S
M.W.:
528.58

4 activity values

4 unique targets
Type:
Small molecule
AlogP:
1.00
Polar Surface Area:
180.05
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE