Type:
Small moleculeAlogP:
4.16Polar Surface Area:
65.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA4294137Name:
2-(benzofuran-2-yl)-1-(5-hexyl-2,4-dihydroxyphenyl)ethanoneMol. Formula:
C22H24O4M.W.:
352.43Type:
Small moleculeAlogP:
5.39Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA4293898Name:
ethyl 5-(2-(2,4-dihydroxyphenyl)-2-oxoethyl)benzofuran-2-carboxylateMol. Formula:
C19H16O6M.W.:
340.33Type:
Small moleculeAlogP:
3.45Polar Surface Area:
96.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
96.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
3.81Polar Surface Area:
84.20HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS- ALA4290893
Name:
ethyl 5-(2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl)benzofuran-2-carboxylateMol. Formula:
C20H18O6M.W.:
354.36Type:
Small moleculeAlogP:
3.75Polar Surface Area:
85.97HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS - 3-Amino-3-(3-pyridyl)propionic Acid
Name:
3-amino-3-(pyridin-3-yl)propanoic acidMol. Formula:
C8H10N2O2M.W.:
166.18Type:
Small moleculeAlogP:
0.56Polar Surface Area:
76.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4288304
Name:
1-(furan-2-yl)-3-(2-hydroxy-4-methylphenyl)propane-1,3-dioneMol. Formula:
C14H12O4M.W.:
244.25Type:
Small moleculeAlogP:
2.75Polar Surface Area:
67.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4287470
Name:
2-(benzofuran-2-yl)-1-(5-butyl-2,4-dihydroxyphenyl)ethanoneMol. Formula:
C20H20O4M.W.:
324.38Type:
Small moleculeAlogP:
4.61Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4286996
Name:
2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl 3-methylbenzofuran-2-carboxylateMol. Formula:
C21H20O7M.W.:
384.38Type:
Small moleculeAlogP:
3.81Polar Surface Area:
84.20HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4286959
Name:
5-hydroxy-2-(2-(4-methoxyphenyl)acetamido)benzoic acidMol. Formula:
C16H15NO5M.W.:
301.30Type:
Small moleculeAlogP:
2.28Polar Surface Area:
95.86HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.35Polar Surface Area:
149.62HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4284101
Name:
2-(benzofuran-2-yl)-1-(2-hydroxy-4-methoxy-5-propylphenyl)ethanoneMol. Formula:
C20H20O4M.W.:
324.38Type:
Small moleculeAlogP:
4.52Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4283019
Name:
2-(benzofuran-2-yl)-1-(5-ethyl-2-hydroxy-4-methoxyphenyl)ethanoneMol. Formula:
C19H18O4M.W.:
310.35Type:
Small moleculeAlogP:
4.13Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4283001
Name:
2-(4-methoxyphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanoneMol. Formula:
C15H14O6M.W.:
290.27Type:
Small moleculeAlogP:
2.07Polar Surface Area:
96.22HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - (1S，2S)-2-Amino-1-(4-aminophenyl)propane-1，3-diol
Name:
(1S,2S)-2-amino-1-(4-aminophenyl)propane-1,3-diolMol. Formula:
C9H14N2O2M.W.:
182.22Type:
Small moleculeAlogP:
-0.38Polar Surface Area:
92.50HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4281489
Name:
4-((2-oxo-2H-chromen-7-yloxy)methyl)cyclopenta-1,3-dienecarboxylic acidMol. Formula:
C16H12O5M.W.:
284.27Type:
Small moleculeAlogP:
2.51Polar Surface Area:
76.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4277238
Name:
2-(benzofuran-2-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanoneMol. Formula:
C19H18O4M.W.:
310.35Type:
Small moleculeAlogP:
4.22Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
122.16HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.52DETAILS
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