Type:
Small moleculeAlogP:
2.55Polar Surface Area:
127.92HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3289790Name:
1,2,3,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-6-carboxylic acidMol. Formula:
C15H8O8M.W.:
316.22Type:
Small moleculeAlogP:
0.98Polar Surface Area:
152.36HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA3289789Name:
1,3,8-trihydroxy-6-(1-hydroxy-2-oxopropyl)anthracene-9,10-dioneMol. Formula:
C17H12O7M.W.:
328.28Type:
Small moleculeAlogP:
1.20Polar Surface Area:
132.13HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA3289788Name:
3-(1S,2R-dihydroxypropyl)-1,6,8-trihydroxyanthracene-9,10-dioneMol. Formula:
C17H14O7M.W.:
330.29Type:
Small moleculeAlogP:
0.99Polar Surface Area:
135.29HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS- ALA3289787
Name:
1,3,8-trihydroxy-6-(2-oxopropyl)anthracene-9,10-dioneMol. Formula:
C17H12O6M.W.:
312.28Type:
Small moleculeAlogP:
1.71Polar Surface Area:
111.90HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
1.50Polar Surface Area:
115.06HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
-5.08Polar Surface Area:
359.44HBA:
14HBD:
12#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS
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