ALA2335052Name:
(RS)-O-2-methoxy-3-(octadecyloxy)propyl O,O-dihydrogen phosphorothioateMol. Formula:
C22H47O5PSM.W.:
454.65Type:
Small moleculeAlogP:
6.51Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.14DETAILS
ALA2335051Name:
rac-sodium O-3-methoxy-2-(stearoyloxy)propyl O-hydrogenphosphorothioateMol. Formula:
C22H44NaO6PSM.W.:
490.62Type:
Small moleculeAlogP:
6.03Polar Surface Area:
85.22HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.11DETAILS
ALA2335050Name:
rac-sodium O-2-(heptadecyloxy)-3-methoxypropyl O-hydrogenphosphorothioateMol. Formula:
C21H44NaO5PSM.W.:
462.61Type:
Small moleculeAlogP:
6.12Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.16DETAILS
ALA2335049Name:
Sodium O-2-(hexadecyloxy)-3-methoxypropyl O-hydrogenphosphorothioateMol. Formula:
C20H42NaO5PSM.W.:
448.58Type:
Small moleculeAlogP:
5.73Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA2335048Name:
(R)-O-2-methoxy-3-(octadecyloxy)propyl O,O-dihydrogen phosphorothioateMol. Formula:
C22H47O5PSM.W.:
454.65Type:
Small moleculeAlogP:
6.51Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.14DETAILS- ALA2335047
Name:
(S)-O-2-methoxy-3-(octadecyloxy)propyl O,O-dihydrogen phosphorothioateMol. Formula:
C22H47O5PSM.W.:
454.65Type:
Small moleculeAlogP:
6.51Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA482695
Name:
4-oxo-4-(3-(2-phenylacetamido)phenylamino)but-2-enoic acidMol. Formula:
C18H16N2O4M.W.:
324.34Type:
Small moleculeAlogP:
2.45Polar Surface Area:
95.50HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
4.43Polar Surface Area:
151.26HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA482497
Name:
3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acidMol. Formula:
C20H16N2O6M.W.:
380.36Type:
Small moleculeAlogP:
2.51Polar Surface Area:
132.80HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA519002
Name:
3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acidMol. Formula:
C14H12N2O6M.W.:
304.26Type:
Small moleculeAlogP:
0.85Polar Surface Area:
132.80HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.28Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA483302
Name:
7-(4-(4-aminobenzamido)benzamido)-4-hydroxynaphthalene-2-sulfonic acidMol. Formula:
C24H19N3O6SM.W.:
477.50Type:
Small moleculeAlogP:
3.88Polar Surface Area:
158.82HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.22DETAILS
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