Type:
Small moleculeAlogP:
0.69Polar Surface Area:
97.19HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA428058Name:
4-phenylethynyl-1-beta-D-ribofuranosylpyrazole-3-carboxamideMol. Formula:
C17H17N3O5M.W.:
343.34Type:
Small moleculeAlogP:
-1.01Polar Surface Area:
130.83HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA402062Name:
4-propynyl-1-beta-d-ribofuranosylpyrazole-3-carboxamideMol. Formula:
C12H15N3O5M.W.:
281.27Type:
Small moleculeAlogP:
-2.04Polar Surface Area:
130.83HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA163583Name:
3-Methoxy-2-(4-methoxy-phenyl)-7-methyl-chromen-4-oneMol. Formula:
C18H16O4M.W.:
296.32Type:
Small moleculeAlogP:
3.79Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA349475Name:
6-Chloro-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-oneMol. Formula:
C16H11ClO4M.W.:
302.71Type:
Small moleculeAlogP:
3.83Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS- ALA163467
Name:
7-Chloro-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-oneMol. Formula:
C16H11ClO4M.W.:
302.71Type:
Small moleculeAlogP:
3.83Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA350583
Name:
2-(4-Hydroxy-phenyl)-7-iodo-3-methoxy-chromen-4-oneMol. Formula:
C16H11IO4M.W.:
394.16Type:
Small moleculeAlogP:
3.78Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
57.90HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA351958
Name:
6-Hydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-oneMol. Formula:
C16H12O5M.W.:
284.27Type:
Small moleculeAlogP:
2.88Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - Isokaempferide
Name:
5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-oneMol. Formula:
C16H12O6M.W.:
300.27Type:
Small moleculeAlogP:
2.59Polar Surface Area:
100.13HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - Kumatakenin
Name:
5-Hydroxy-2-(4-hydroxy-phenyl)-3,7-dimethoxy-chromen-4-oneMol. Formula:
C17H14O6M.W.:
314.29Type:
Small moleculeAlogP:
2.89Polar Surface Area:
89.13HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA166029
Name:
2-(4-Hydroxy-phenyl)-3,5,7-trimethoxy-chromen-4-oneMol. Formula:
C18H16O6M.W.:
328.32Type:
Small moleculeAlogP:
3.19Polar Surface Area:
78.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA165964
Name:
7-Hydroxy-2-(4-hydroxy-phenyl)-3-methoxy-5-methyl-chromen-4-oneMol. Formula:
C17H14O5M.W.:
298.29Type:
Small moleculeAlogP:
3.19Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA350720
Name:
2-(3,4-Dimethoxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-oneMol. Formula:
C18H16O7M.W.:
344.32Type:
Small moleculeAlogP:
2.90Polar Surface Area:
98.36HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA161957
Name:
5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-chromen-4-oneMol. Formula:
C18H16O7M.W.:
344.32Type:
Small moleculeAlogP:
2.90Polar Surface Area:
98.36HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - 5，7-Dihydroxy-3，8，4'-trimethoxyflavone
Name:
5,7-Dihydroxy-3,8-dimethoxy-2-(4-methoxy-phenyl)-chromen-4-oneMol. Formula:
C18H16O7M.W.:
344.32Type:
Small moleculeAlogP:
2.90Polar Surface Area:
98.36HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA348970
Name:
2-(4-Hydroxy-phenyl)-3,7-dimethoxy-5-methyl-chromen-4-oneMol. Formula:
C18H16O5M.W.:
312.32Type:
Small moleculeAlogP:
3.49Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA163598
Name:
2-(4-Hydroxy-phenyl)-6-isopropyl-3-methoxy-chromen-4-oneMol. Formula:
C19H18O4M.W.:
310.35Type:
Small moleculeAlogP:
4.30Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
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