Type:
Small moleculeAlogP:
6.46Polar Surface Area:
84.23HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
6.71Polar Surface Area:
60.44HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA3785616Name:
Methyl 3beta-Acetoxy-12-oxoolean-9(11)-en-28-oateMol. Formula:
C33H50O5M.W.:
526.76Type:
Small moleculeAlogP:
7.07Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
3.20Polar Surface Area:
66.38HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA1688937Name:
(1R,2S,5R,6R)-2,6-bis(3,4-dihydroxyphenyl)-3,7-dioxabicyclo-[3,3,0]octaneMol. Formula:
C18H18O6M.W.:
330.34Type:
Small moleculeAlogP:
2.58Polar Surface Area:
99.38HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS-
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
77.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
3.20Polar Surface Area:
66.38HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
77.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.83Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA1099213
Name:
(E)-6-(2',6'-dichlorostyryl)-4-methoxy-5-(methoxymethyl)-2H-pyran-2-oneMol. Formula:
C16H14Cl2O4M.W.:
341.19Type:
Small moleculeAlogP:
4.27Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS
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