Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
-5.11Polar Surface Area:
207.27HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
Small moleculeAlogP:
-8.08Polar Surface Area:
343.95HBA:
18HBD:
13#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.09DETAILS
ALA2303842Name:
2-Allyloxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triolMol. Formula:
C9H16O6M.W.:
220.22Type:
Small moleculeAlogP:
-2.01Polar Surface Area:
99.38HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
-3.01Polar Surface Area:
167.17HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS-
Type:
Small moleculeAlogP:
-5.14Polar Surface Area:
172.10HBA:
10HBD:
8#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
-3.56Polar Surface Area:
149.07HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
-4.68Polar Surface Area:
180.30HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
-6.55Polar Surface Area:
248.45HBA:
15HBD:
10#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
-7.43Polar Surface Area:
277.55HBA:
16HBD:
11#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
-5.25Polar Surface Area:
198.40HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
-1.39Polar Surface Area:
69.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
-3.22Polar Surface Area:
110.38HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
-1.39Polar Surface Area:
69.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA1873035
Name:
(alpha anomer) L-6-Hydroxymethyl-tetrahydro-pyran-2,3,4,5-tetraolMol. Formula:
C6H12O6M.W.:
180.16Type:
Small moleculeAlogP:
-3.22Polar Surface Area:
110.38HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS - rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
Name:
6-Hydroxymethyl-tetrahydro-pyran-2,3,4,5-tetraolMol. Formula:
C6H12O6M.W.:
180.16Type:
Small moleculeAlogP:
-3.22Polar Surface Area:
110.38HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
-5.25Polar Surface Area:
198.40HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS - N-Acetyl-D-galactosamine
Name:
N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamideMol. Formula:
C8H15NO6M.W.:
221.21Type:
Small moleculeAlogP:
-3.08Polar Surface Area:
119.25HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA240524
Name:
N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamideMol. Formula:
C8H15NO6M.W.:
221.21Type:
Small moleculeAlogP:
-3.08Polar Surface Area:
119.25HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
-3.22Polar Surface Area:
110.38HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS
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