- ALA5277232
Name:
(3-acetamidopropyl)phosphonic acidMol. Formula:
C5H12NO4PM.W.:
181.13/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.31Polar Surface Area:
86.63HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5274427
Name:
5-(hydroxy(methyl)amino)-5-oxopentanoic acidMol. Formula:
C6H11NO4M.W.:
161.16/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.09Polar Surface Area:
77.84HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3342264
Name:
5-[Hydroxy(methyl)amino]-5-oxo-1-phenylpentylphosphonic acidMol. Formula:
C12H18NO5PM.W.:
287.25Type:
Small moleculeAlogP:
1.92Polar Surface Area:
98.07HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3342263
Name:
[2-(Hydroxyamino)-2-oxoethoxy](4-methoxyphenyl)methylphosphonic acidMol. Formula:
C10H14NO7PM.W.:
291.20Type:
Small moleculeAlogP:
0.39Polar Surface Area:
125.32HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3342261
Name:
1-(3,4-Dimethoxyphenyl)-4-(hydroxyamino)-4-oxobutylphosphonic acidMol. Formula:
C12H18NO7PM.W.:
319.25Type:
Small moleculeAlogP:
1.21Polar Surface Area:
125.32HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3342260
Name:
1-(3,4-Dimethoxyphenyl)-4-[hydroxy(methyl)amino]-4-oxobutylphosphonic acidMol. Formula:
C13H20NO7PM.W.:
333.28Type:
Small moleculeAlogP:
1.55Polar Surface Area:
116.53HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3342259
Name:
4-(Hydroxyamino)-1-(4-methoxyphenyl)-4-oxobutylphosphonic acidMol. Formula:
C11H16NO6PM.W.:
289.22Type:
Small moleculeAlogP:
1.20Polar Surface Area:
116.09HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3341763
Name:
4-[Hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutylphosphonic acidMol. Formula:
C12H18NO6PM.W.:
303.25Type:
Small moleculeAlogP:
1.54Polar Surface Area:
107.30HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3342258
Name:
4-(Hydroxyamino)-4-oxo-1-p-tolylbutylphosphonic acidMol. Formula:
C11H16NO5PM.W.:
273.23Type:
Small moleculeAlogP:
1.50Polar Surface Area:
106.86HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS Type:
Small moleculeAlogP:
0.80Polar Surface Area:
110.10HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.21DETAILSType:
Small moleculeAlogP:
5.38Polar Surface Area:
99.10HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILSType:
Small moleculeAlogP:
5.38Polar Surface Area:
99.10HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILSType:
Small moleculeAlogP:
5.04Polar Surface Area:
99.10HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.25DETAILSType:
Small moleculeAlogP:
5.38Polar Surface Area:
99.10HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILSType:
Small moleculeAlogP:
5.04Polar Surface Area:
99.10HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.25DETAILS- (Pyridin-3-ylmethyl)phosphonic Acid
Name:
Pyridin-3-ylmethylphosphonic acidMol. Formula:
C6H8NO3PM.W.:
173.11Type:
Small moleculeAlogP:
0.76Polar Surface Area:
70.42HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS Type:
Small moleculeAlogP:
0.76Polar Surface Area:
70.42HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILSType:
Small moleculeAlogP:
0.86Polar Surface Area:
53.43HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
2.67Polar Surface Area:
57.53HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.78DETAILS