ID: ALA612853
Type: ORGANISM
Organism: Entamoeba histolytica
Species Group: Entamoeba histolytica
Name:
(Morpholin-4-yl-phosphono-methyl)-phosphonic acid
Mol. Formula:
C5H13NO7P2
M.W.:
261.11
Type:
Small molecule
AlogP:
-1.04
Polar Surface Area:
127.53
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
Name:
[(4-Hydroxy-piperidin-1-yl)-phosphono-methyl]-phosphonic acid
Mol. Formula:
C6H15NO7P2
M.W.:
275.13
Type:
Small molecule
AlogP:
-0.92
Polar Surface Area:
138.53
HBA:
4
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
Name:
[(2-Chloro-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid
Mol. Formula:
C6H9ClN2O6P2
M.W.:
302.55
Type:
Small molecule
AlogP:
0.79
Polar Surface Area:
139.98
HBA:
4
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
Name:
[(3,4-Dihydro-1H-isoquinolin-2-yl)-phosphono-methyl]-phosphonic acid
Mol. Formula:
C10H15NO6P2
M.W.:
307.18
Type:
Small molecule
AlogP:
0.68
Polar Surface Area:
118.30
HBA:
3
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
Name:
[(6-Bromo-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid
Mol. Formula:
C6H9BrN2O6P2
M.W.:
347.00
Type:
Small molecule
AlogP:
0.89
Polar Surface Area:
139.98
HBA:
4
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
Name:
[(6-Chloro-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid
Mol. Formula:
C6H9ClN2O6P2
M.W.:
302.55
Type:
Small molecule
AlogP:
0.79
Polar Surface Area:
139.98
HBA:
4
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
Name:
[(6-Hydroxy-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid
Mol. Formula:
C6H10N2O7P2
M.W.:
284.10
Type:
Small molecule
AlogP:
-0.16
Polar Surface Area:
160.21
HBA:
5
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41