ALA3577852Name:
4-acetamido-1-acetoxybutane-1,1-diyldiphosphonic acidMol. Formula:
C8H17NO9P2M.W.:
333.17Type:
Small moleculeAlogP:
-0.53Polar Surface Area:
170.46HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS
ALA3577851Name:
4-amino-1-(dimethoxyphosphoryl)-1-hydroxybutylphosphonic acidMol. Formula:
C6H17NO7P2M.W.:
277.15Type:
Small moleculeAlogP:
0.03Polar Surface Area:
139.31HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA3577850Name:
4-amino-1-hydroxy-1-(hydroxy(methoxy)phosphoryl)butylphosphonic acidMol. Formula:
C5H15NO7P2M.W.:
263.12Type:
Small moleculeAlogP:
-0.62Polar Surface Area:
150.31HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA3577849Name:
dichloro(hydroxy(methoxy)phosphoryl)methylphosphonic acidMol. Formula:
C2H6Cl2O6P2M.W.:
258.92Type:
Small moleculeAlogP:
1.08Polar Surface Area:
104.06HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA3577848Name:
methyl hydrogen (dimethoxyphosphoryl)methylphosphonateMol. Formula:
C4H12O6P2M.W.:
218.08Type:
Small moleculeAlogP:
1.26Polar Surface Area:
82.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS-
Type:
Small moleculeAlogP:
0.61Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3577846
Name:
(hydroxy(methoxy)phosphoryl)methylphosphonic acidMol. Formula:
C2H8O6P2M.W.:
190.03Type:
Small moleculeAlogP:
-0.05Polar Surface Area:
104.06HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3577845
Name:
methyl hydrogen 1-(dimethoxyphosphoryl)-1-hydroxyethylphosphonateMol. Formula:
C5H14O7P2M.W.:
248.11Type:
Small moleculeAlogP:
0.97Polar Surface Area:
102.29HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA3577844
Name:
1-(diisopropoxyphosphoryl)-1-hydroxyethylphosphonic acidMol. Formula:
C8H20O7P2M.W.:
290.19Type:
Small moleculeAlogP:
1.87Polar Surface Area:
113.29HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3577843
Name:
1-(dimethoxyphosphoryl)-1-hydroxyethylphosphonic acidMol. Formula:
C4H12O7P2M.W.:
234.08Type:
Small moleculeAlogP:
0.32Polar Surface Area:
113.29HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3577842
Name:
dimethyl 1-hydroxyethane-1,1-diylbis(hydrogen phosphonate)Mol. Formula:
C4H12O7P2M.W.:
234.08Type:
Small moleculeAlogP:
0.32Polar Surface Area:
113.29HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3577841
Name:
1-hydroxy-1-(hydroxy(phenoxy)phosphoryl)ethylphosphonic acidMol. Formula:
C8H12O7P2M.W.:
282.12Type:
Small moleculeAlogP:
1.09Polar Surface Area:
124.29HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3577840
Name:
1-hydroxy-1-(hydroxy(methoxy)phosphoryl)ethylphosphonic acidMol. Formula:
C3H10O7P2M.W.:
220.05Type:
Small moleculeAlogP:
-0.34Polar Surface Area:
124.29HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
162.10HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
3.43Polar Surface Area:
152.87HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA2170080
Name:
5-(4-phenoxyphenylsulfonamido)pentylcarbamoylphosphonic acidMol. Formula:
C18H23N2O7PSM.W.:
442.43Type:
Small moleculeAlogP:
2.81Polar Surface Area:
142.03HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.87Polar Surface Area:
139.23HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
136.43HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
153.50HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
145.66HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.15DETAILS
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