ALA2286461Name:
3-[(1E)-3-(3-Hydroxyfuran-2-yl)-3-oxoprop-1-en-1-yl]benzonitrileMol. Formula:
C14H9NO3M.W.:
239.23Type:
Small moleculeAlogP:
2.75Polar Surface Area:
74.23HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA2286460Name:
(2E)-1-(3-Hydroxyfuran-2-yl)-3-(pyridin-2-yl)prop-2-en-1-oneMol. Formula:
C12H9NO3M.W.:
215.21Type:
Small moleculeAlogP:
2.28Polar Surface Area:
63.33HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA2286459Name:
(2E)-1-(3-Hydroxyfuran-2-yl)-3-phenylprop-2-en-1-oneMol. Formula:
C13H10O3M.W.:
214.22Type:
Small moleculeAlogP:
2.88Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
57.65HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA2286457Name:
(2E)-3-(4-Chlorophenyl)-1-(3-hydroxyfuran-2-yl)prop-2-en-1-oneMol. Formula:
C13H9ClO3M.W.:
248.66Type:
Small moleculeAlogP:
3.53Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS- ALA2286456
Name:
(2E)-1-(3-Hydroxyfuran-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-oneMol. Formula:
C17H12O3M.W.:
264.28Type:
Small moleculeAlogP:
4.03Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA2286455
Name:
(2E)-1-(3-Hydroxyfuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-oneMol. Formula:
C13H9NO5M.W.:
259.22Type:
Small moleculeAlogP:
2.79Polar Surface Area:
93.58HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2286454
Name:
(2E)-3-(2,4-Dichlorophenyl)-1-(3-hydroxyfuran-2-yl)prop-2-en-1-oneMol. Formula:
C13H8Cl2O3M.W.:
283.11Type:
Small moleculeAlogP:
4.19Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA2286453
Name:
(2E)-3-(4-Bromophenyl)-1-(3-hydroxyfuran-2-yl)prop-2-en-1-oneMol. Formula:
C13H9BrO3M.W.:
293.12Type:
Small moleculeAlogP:
3.64Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2286452
Name:
(2E)-3-(4-Fluorophenyl)-1-(3-hydroxyfuran-2-yl)prop-2-en-1-oneMol. Formula:
C13H9FO3M.W.:
232.21Type:
Small moleculeAlogP:
3.02Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2286451
Name:
(2E)-1-(3-Hydroxyfuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-oneMol. Formula:
C14H12O4M.W.:
244.25Type:
Small moleculeAlogP:
2.89Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2286450
Name:
(2E)-1-(3-Hydroxyfuran-2-yl)-3-(4-methylphenyl)prop-2-en-1-oneMol. Formula:
C14H12O3M.W.:
228.25Type:
Small moleculeAlogP:
3.19Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2286449
Name:
(2E)-3-(Furan-2-yl)-1-(3-hydroxyfuran-2-yl)prop-2-en-1-oneMol. Formula:
C11H8O4M.W.:
204.18Type:
Small moleculeAlogP:
2.47Polar Surface Area:
63.58HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
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