Type:
---AlogP:
-3.97Polar Surface Area:
214.95HBA:
14HBD:
6#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
-0.43Polar Surface Area:
176.40HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.14DETAILS-
Type:
---AlogP:
-2.41Polar Surface Area:
179.42HBA:
11HBD:
6#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
-0.36Polar Surface Area:
150.07HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
-0.64Polar Surface Area:
290.91HBA:
17HBD:
10#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.06DETAILS - ALA5195151
Name:
(2S,3R,4S,5R,6S)-2-(oxiran-2-yl)-6-phenoxy-tetrahydropyran-3,4,5-triolMol. Formula:
C13H16O6M.W.:
268.26Type:
---AlogP:
-0.73Polar Surface Area:
91.68HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
-0.73Polar Surface Area:
91.68HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
---AlogP:
-0.32Polar Surface Area:
289.40HBA:
15HBD:
9#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
-0.02Polar Surface Area:
298.19HBA:
15HBD:
10#RO5 Violations:
3#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
-0.61Polar Surface Area:
127.45HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
---AlogP:
-0.27Polar Surface Area:
298.19HBA:
15HBD:
10#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-3.38Polar Surface Area:
168.78HBA:
12HBD:
5#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.22DETAILS
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