ALA3215309Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C25H30N2Na8O38S8M.W.:
1406.95Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3215308Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C19H24N2Na4O20S4M.W.:
820.62Type:
Small moleculeAlogP:
-2.72Polar Surface Area:
322.27HBA:
16HBD:
5#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.08DETAILS
ALA3215307Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C39H60N4Na8O40S8M.W.:
1665.35Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3215306Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C19H30N2Na4O20S4M.W.:
826.67Type:
Small moleculeAlogP:
-2.90Polar Surface Area:
322.27HBA:
16HBD:
5#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.09DETAILS
ALA3215305Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C24H33N2Na3O17S3M.W.:
786.70Type:
Small moleculeAlogP:
-0.58Polar Surface Area:
267.90HBA:
14HBD:
4#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.16DETAILS- ALA3215304
Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C26H33N2Na7O35S7M.W.:
1318.93Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3215303
Name:
Sodium sulfated glycoconjugate derivativeMol. Formula:
C40H62N4Na6O34S6M.W.:
1473.27Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-6.39Polar Surface Area:
518.03HBA:
25HBD:
8#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
-2.96Polar Surface Area:
331.50HBA:
17HBD:
5#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
0.82Polar Surface Area:
198.26HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA2303819
Name:
[3,4,5,6-tetrakis(sulfonatooxy)tetrahydro-2H-pyran-2-yl]methyl sulfateMol. Formula:
C6H12O21S5M.W.:
580.48Type:
Small moleculeAlogP:
-4.09Polar Surface Area:
327.23HBA:
16HBD:
5#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
-5.95Polar Surface Area:
482.12HBA:
25HBD:
7#RO5 Violations:
3#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
-6.51Polar Surface Area:
527.26HBA:
26HBD:
8#RO5 Violations:
3#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-6.78Polar Surface Area:
536.49HBA:
27HBD:
8#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
-3.26Polar Surface Area:
272.86HBA:
14HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
-1.77Polar Surface Area:
258.02HBA:
12HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
-1.98Polar Surface Area:
385.87HBA:
19HBD:
6#RO5 Violations:
3#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
-3.28Polar Surface Area:
359.57HBA:
17HBD:
6#RO5 Violations:
3#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
-4.06Polar Surface Area:
359.57HBA:
17HBD:
6#RO5 Violations:
3#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.05DETAILS
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