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ALA2074894 Name:
Muricholate
Mol. Formula:
C24H40O5
M.W.:
408.58
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2074893 Name:
Taurolagodeoxycholate
Mol. Formula:
C26H45NO6S
M.W.:
499.71
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
123.93
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2074892 Name:
Tauromurocholate
Mol. Formula:
C26H45NO6S
M.W.:
499.71
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
123.93
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2074891 Name:
reverse Triiodothyronine(rT3) sulfate
Mol. Formula:
C15H14I3NO8S
M.W.:
749.06
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
92.78
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2074890 Name:
Diiodothyronine sulfate
Mol. Formula:
C15H13I2NO7S
M.W.:
605.14
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
136.15
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2074581 Name:
Thyroxine sulfate
Mol. Formula:
C15H11I4NO7S
M.W.:
856.94
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
136.15
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2074889 Name:
Triiodothyronine sulfate
Mol. Formula:
C15H12I3NO7S
M.W.:
731.04
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
136.15
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
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