Compounds

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(±)-Propionylcarnitine chloride
Name:
Propionyl-Carnitine
Mol. Formula:
C10H19NO4
M.W.:
217.26
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.85
Polar Surface Area:
66.43
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
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ALA2074824
Name:
S-methylmethionine sufonium
Mol. Formula:
C6H13NO2S
M.W.:
163.24
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.67
Polar Surface Area:
66.15
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
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cefluprenam
Name:
Cefluprenam
Mol. Formula:
C20H25FN8O6S2
M.W.:
556.60
23 activity values
6 unique targets
Type:
Small molecule
AlogP:
-2.32
Polar Surface Area:
206.02
HBA:
12
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
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ALA2074820
Name:
Carnitine-related compound-14
Mol. Formula:
C10H21NO3
M.W.:
203.28
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.64
Polar Surface Area:
60.36
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
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ALA2074741
Name:
Carnitine-related compound-3A
Mol. Formula:
C10H22ClNO2
M.W.:
223.74
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.73
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
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ALA2074740
Name:
Carnitine-related compound-8A
Mol. Formula:
C11H24ClNO2
M.W.:
237.77
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.12
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE