Compounds

Select all

(±)-Octanoylcarnitine chloride
Name:
Octanoyl-carnitine
Mol. Formula:
C15H30ClNO4
M.W.:
323.86
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2074693
Name:
Butyryl-carnitine
Mol. Formula:
C11H21NO4
M.W.:
231.29
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
-0.46
Polar Surface Area:
66.43
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
4-trimethylammoniobutanoate
Name:
gamma-butyrobetaine
Mol. Formula:
C7H15NO2
M.W.:
145.20
10 activity values
3 unique targets
Type:
Small molecule
AlogP:
-0.78
Polar Surface Area:
40.13
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE