Type:
Small moleculeAlogP:
-4.89Polar Surface Area:
353.36HBA:
12HBD:
11#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
-3.76Polar Surface Area:
324.34HBA:
11HBD:
9#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
Small moleculeAlogP:
-5.53Polar Surface Area:
353.36HBA:
12HBD:
11#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
Small moleculeAlogP:
-6.65Polar Surface Area:
382.38HBA:
13HBD:
13#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.06DETAILS- ALA1808110
Name:
(6R,9S)-3-Oxo-alpha-ionol-beta-D-glucopyranosideCas Number:
159813-37-3Mol. Formula:
C19H30O7M.W.:
370.44Type:
Small moleculeAlogP:
0.31Polar Surface Area:
116.45HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
-0.65Polar Surface Area:
158.30HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
-0.70Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA1808021
Name:
5,7,3'-trihydroxy-6-O-beta-D-glucopyranosylflavoneMol. Formula:
C21H20O11M.W.:
448.38Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
190.28HBA:
11HBD:
7#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
170.05HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1643106
Name:
3-(4-sec-Butoxy-phenyl)-7-methoxy-4H-chromen-4-oneMol. Formula:
C20H20O4M.W.:
324.38Type:
Small moleculeAlogP:
4.50Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
10.27Polar Surface Area:
70.26HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
-0.27Polar Surface Area:
197.37HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.72Polar Surface Area:
64.27HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
-0.20Polar Surface Area:
201.28HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
51.80HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
7.24Polar Surface Area:
82.29HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
-1.90Polar Surface Area:
177.14HBA:
10HBD:
7#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.31DETAILS
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