Compounds

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ALA1941140
Name:
2-Hydroxy-8-(phosphonatooxy)octanoate

Mol. Formula:
C8H17O7P
M.W.:
256.19

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
0.49
Polar Surface Area:
124.29
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1941139
Name:
8-Hydroxy-2-(phosphonatooxy)octanoate

Mol. Formula:
C8H17O7P
M.W.:
256.19

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
0.49
Polar Surface Area:
124.29
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1938424
Name:
2,8-bis(phosphonatooxy)octanoate

Mol. Formula:
C8H18O10P2
M.W.:
336.17

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
170.82
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA1941138
Name:
(R)-2-(phosphonatooxy)propanoate

Cas Number:
28238-06-4

Mol. Formula:
C3H7O6P
M.W.:
170.06

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
-0.43
Polar Surface Area:
104.06
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1235229
Name:
(S)-2-(phosphonatooxy)propanoate

Cas Number:
28238-07-5

Mol. Formula:
C3H7O6P
M.W.:
170.06

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
-0.43
Polar Surface Area:
104.06
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE