Type:
Small moleculeAlogP:
-1.26Polar Surface Area:
164.23HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
-1.23Polar Surface Area:
114.21HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA4096324Name:
4-n-Hexylphenyl alpha-D-glucopyranoside-6-sulfateMol. Formula:
C18H28O9SM.W.:
420.48Type:
Small moleculeAlogP:
0.82Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
-1.48Polar Surface Area:
178.28HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
-1.82Polar Surface Area:
162.98HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS- ALA4104072
Name:
4-n-Octylphenyl beta-D-glucopyranoside-6-sulfateMol. Formula:
C20H32O9SM.W.:
448.53Type:
Small moleculeAlogP:
1.60Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
-0.52Polar Surface Area:
131.75HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
-2.74Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4099837
Name:
4-Formylphenyl beta-D-glucopyranoside-6-sulfateMol. Formula:
C13H16O10SM.W.:
364.33Type:
Small moleculeAlogP:
-1.50Polar Surface Area:
159.82HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
-1.31Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4092097
Name:
2-Formylphenyl beta-D-glucopyranoside-6-sulfateMol. Formula:
C13H16O10SM.W.:
364.33Type:
Small moleculeAlogP:
-1.50Polar Surface Area:
159.82HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
-0.01Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4091182
Name:
4-Acetamidophenyl beta-D-glucopyranoside-6-sulfateMol. Formula:
C14H19NO10SM.W.:
393.37Type:
Small moleculeAlogP:
-1.35Polar Surface Area:
171.85HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4086163
Name:
4-n-Octylphenyl alpha-D-glucopyranoside-6-sulfateMol. Formula:
C20H32O9SM.W.:
448.53Type:
Small moleculeAlogP:
1.60Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
-1.82Polar Surface Area:
162.98HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-1.82Polar Surface Area:
162.98HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-1.82Polar Surface Area:
162.98HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-0.15Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4070245
Name:
4-Aminophenyl beta-D-glucopyranoside-6-sulfateMol. Formula:
C12H17NO9SM.W.:
351.33Type:
Small moleculeAlogP:
-1.73Polar Surface Area:
168.77HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
-1.17Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
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