ALA2063259Name:
(Z)-2-hydroxy-4-(4-(octyloxy)phenyl)-4-oxobut-2-enoic acidMol. Formula:
C18H24O5M.W.:
320.38Type:
Small moleculeAlogP:
4.14Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA2063258Name:
(Z)-4-(3-(decyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic acidMol. Formula:
C20H28O5M.W.:
348.44Type:
Small moleculeAlogP:
4.92Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
4.82Polar Surface Area:
88.76HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
3.26Polar Surface Area:
88.76HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA2063255Name:
(Z)-4-((3-(3-(hexyloxy)phenyl)propyl)amino)-2-hydroxy-4-oxobut-2-enoic acidMol. Formula:
C19H27NO5M.W.:
349.43Type:
Small moleculeAlogP:
3.22Polar Surface Area:
95.86HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.31DETAILS-
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
86.63HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA2063253
Name:
(Z)-2-hydroxy-4-oxo-4-((3-(3-phenoxyphenyl)propyl)amino)but-2-enoic acidMol. Formula:
C19H19NO5M.W.:
341.36Type:
Small moleculeAlogP:
3.05Polar Surface Area:
95.86HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
84.86HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA523897
Name:
N-[3-(3-Phenoxyphenyl)propyl]phosphonomalonamide Potassium SaltMol. Formula:
C18H18KNO4M.W.:
351.44Type:
Small moleculeAlogP:
3.00Polar Surface Area:
75.63HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA525377
Name:
N-Hydroxy-N-[3-(4-methylbiphenyl)propyl]phosphonoacetamideMol. Formula:
C18H22NO5PM.W.:
363.35Type:
Small moleculeAlogP:
2.99Polar Surface Area:
98.07HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA498628
Name:
N-[3-(3-Phenoxyphenyl)propyl]phosphonomethylsufamide Dipotassium SaltMol. Formula:
C16H18K2NO6PSM.W.:
461.56Type:
Small moleculeAlogP:
2.47Polar Surface Area:
112.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA449115
Name:
2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipotassium SaltMol. Formula:
C18H19K2O5PM.W.:
424.52Type:
Small moleculeAlogP:
3.94Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA496803
Name:
3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotassium SaltMol. Formula:
C17H17K2O6PM.W.:
426.49Type:
Small moleculeAlogP:
3.13Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA496802
Name:
N-[4-(3-Phenoxyphenyl)butyl]phosphonoacetamide Dipotassium SaltMol. Formula:
C18H20K2NO5PM.W.:
439.53Type:
Small moleculeAlogP:
3.10Polar Surface Area:
95.86HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA496801
Name:
N-Hydroxy-2-phosphono-5-(3-phenoxyphenyl)pentamide Dipotassium SaltMol. Formula:
C17H18K2NO6PM.W.:
441.50Type:
Small moleculeAlogP:
2.85Polar Surface Area:
116.09HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA524084
Name:
N-[2-(3-Phenoxyphenyl)ethyl]phosphonoacetamide Dipotassium SaltMol. Formula:
C16H16K2NO5PM.W.:
411.48Type:
Small moleculeAlogP:
2.32Polar Surface Area:
95.86HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA447414
Name:
N-[3-(3-Phenoxyphenyl)propyl]phosphonodimethylacetamide Dipotassium saltMol. Formula:
C19H22K2NO5PM.W.:
453.56Type:
Small moleculeAlogP:
3.48Polar Surface Area:
95.86HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA497618
Name:
N-Methyl-N-[3-(3-phenoxyphenyl)propyl]phosphonoacetamide Dipotassium SaltMol. Formula:
C18H20K2NO5PM.W.:
439.53Type:
Small moleculeAlogP:
3.05Polar Surface Area:
87.07HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
92.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
86.63HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS
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