Compounds

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Droxidopa
Name:
Droxydopa
Mol. Formula:
C9H11NO5
M.W.:
213.19
45 activity values
33 unique targets
Type:
Small molecule
AlogP:
-0.46
Polar Surface Area:
124.01
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
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BCH
Name:
2-amino bicyclo (2,2,1) heptane-2-carboxylic acid
Mol. Formula:
C8H13NO2
M.W.:
155.20
18 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.59
Polar Surface Area:
63.32
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
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3-Amino-2，2-dimethylpropanoic acid
Name:
alpha-(aminomethyl)isobutyric acid
Mol. Formula:
C5H11NO2
M.W.:
117.15
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.06
Polar Surface Area:
63.32
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
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N-Methyl-4-aminobutyric acid
Name:
N-methylamino-isobutyric acid
Mol. Formula:
C5H11NO2
M.W.:
117.15
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.07
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
(S)-2-(Methylamino)-3-phenylpropanoic acid
Name:
N-methyl-Phenylalanine
Mol. Formula:
C10H13NO2
M.W.:
179.22
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.90
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE