Type:
Small moleculeAlogP:
0.05Polar Surface Area:
130.85HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
-0.25Polar Surface Area:
130.85HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA3039042Name:
2-(4-acetoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetateMol. Formula:
C21H16O8M.W.:
396.35Type:
Small moleculeAlogP:
3.24Polar Surface Area:
109.11HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA2235250Name:
5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-4H-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
ALA2235249Name:
2-(2,6-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-oneMol. Formula:
C20H20O8M.W.:
388.37Type:
Small moleculeAlogP:
3.21Polar Surface Area:
96.59HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA2235248
Name:
5,6,8-trihydroxy-7-isopropoxy-2-(4-isopropoxyphenyl)-4H-chromen-4-oneMol. Formula:
C21H22O7M.W.:
386.40Type:
Small moleculeAlogP:
4.15Polar Surface Area:
109.36HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA2235247
Name:
7-hydroxy-5,6-dimethoxy-2-phenyl-4H-chromen-4-oneMol. Formula:
C17H14O5M.W.:
298.29Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2235245
Name:
5-hydroxy-7-isopropoxy-2-(4-isopropoxyphenyl)-4H-chromen-4-oneMol. Formula:
C21H22O5M.W.:
354.40Type:
Small moleculeAlogP:
4.74Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2235244
Name:
7-(benzyloxy)-5,8-dihydroxy-2-phenyl-4H-chromen-4-oneMol. Formula:
C22H16O5M.W.:
360.37Type:
Small moleculeAlogP:
4.45Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2235243
Name:
2-(3,4-diisopropoxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-oneMol. Formula:
C21H22O7M.W.:
386.40Type:
Small moleculeAlogP:
4.15Polar Surface Area:
109.36HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA2235242
Name:
5-hydroxy-2-(4-hydroxyphenyl)-7-isopropoxy-8-methoxy-4H-chromen-4-oneMol. Formula:
C19H18O6M.W.:
342.35Type:
Small moleculeAlogP:
3.67Polar Surface Area:
89.13HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2235241
Name:
2-(3,4-diisopropoxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneMol. Formula:
C21H22O6M.W.:
370.40Type:
Small moleculeAlogP:
4.45Polar Surface Area:
89.13HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2235240
Name:
5-hydroxy-7-isopropoxy-8-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneMol. Formula:
C20H20O6M.W.:
356.37Type:
Small moleculeAlogP:
3.97Polar Surface Area:
78.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2235239
Name:
5-hydroxy-7,8-dimethoxy-2-phenyl-4H-chromen-4-oneMol. Formula:
C17H14O5M.W.:
298.29Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2235238
Name:
5,6,8-trihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneMol. Formula:
C17H14O7M.W.:
330.29Type:
Small moleculeAlogP:
2.59Polar Surface Area:
109.36HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
5.03Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2235236
Name:
5,6-dihydroxy-7-isopropoxy-2-(4-isopropoxyphenyl)-4H-chromen-4-oneMol. Formula:
C21H22O6M.W.:
370.40Type:
Small moleculeAlogP:
4.45Polar Surface Area:
89.13HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2235235
Name:
2-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl acetateMol. Formula:
C19H16O7M.W.:
356.33Type:
Small moleculeAlogP:
3.11Polar Surface Area:
95.20HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA2234876
Name:
5,7,8-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-oneMol. Formula:
C15H10O6M.W.:
286.24Type:
Small moleculeAlogP:
2.28Polar Surface Area:
111.13HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2234875
Name:
5,7-dihydroxy-2-(4-isopropoxyphenyl)-4H-chromen-4-oneMol. Formula:
C18H16O5M.W.:
312.32Type:
Small moleculeAlogP:
3.66Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS
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