ALA3585680Name:
(2S)-2,3-dihydro-5,7,7'',2',4',4'''-hexahydroxy-(5'-8'')biflavoneMol. Formula:
C30H20O10M.W.:
540.48Type:
Small moleculeAlogP:
5.07Polar Surface Area:
177.89HBA:
10HBD:
6#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
Small moleculeAlogP:
3.36Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
93.14HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
93.14HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
93.14HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS-
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
93.14HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
83.91HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
6.91Polar Surface Area:
79.20HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
6.78Polar Surface Area:
88.43HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.82Polar Surface Area:
88.43HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
6.82Polar Surface Area:
88.43HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
6.81Polar Surface Area:
79.20HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
6.81Polar Surface Area:
79.20HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.34Polar Surface Area:
83.91HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA185708
Name:
Benzo[1,3]dioxole-5-carboxylic acid 5-acetyl-benzofuran-6-yl esterMol. Formula:
C18H12O6M.W.:
324.29Type:
Small moleculeAlogP:
3.58Polar Surface Area:
74.97HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA185844
Name:
3-Methoxy-benzoic acid 5-acetyl-benzofuran-6-yl esterMol. Formula:
C18H14O5M.W.:
310.31Type:
Small moleculeAlogP:
3.86Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA364606
Name:
3,4-Dimethoxy-benzoic acid 5-acetyl-benzofuran-6-yl esterMol. Formula:
C19H16O6M.W.:
340.33Type:
Small moleculeAlogP:
3.87Polar Surface Area:
74.97HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA189014
Name:
4-Methoxy-benzoic acid 5-acetyl-benzofuran-6-yl esterMol. Formula:
C18H14O5M.W.:
310.31Type:
Small moleculeAlogP:
3.86Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
145.11HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS
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