Compounds

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ALA153232
Name:
2-Benzyl-pentanedioic acid
Mol. Formula:
C12H14O4
M.W.:
222.24
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.79
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
DL-Benzylsuccinic acid
Name:
2-Benzyl-succinic acid
Mol. Formula:
C11H12O4
M.W.:
208.21
68 activity values
66 unique targets
Type:
Small molecule
AlogP:
1.40
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
4-(Benzyloxy)-4-oxobutanoic acid
Name:
Succinic acid monobenzyl ester
Mol. Formula:
C11H12O4
M.W.:
208.21
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA91545
Name:
(R)-2-Mercaptomethyl-3-phenyl-propionic acid
Mol. Formula:
C10H12O2S
M.W.:
196.27
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
37.30
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
S-BMPA
Name:
(S)-2-Mercaptomethyl-3-phenyl-propionic acid
Mol. Formula:
C10H12O2S
M.W.:
196.27
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
37.30
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE