ALA1765922Name:
3-(4-(Dimethylamino)phenyl)-6-(3-fluoropropoxy)-2H-chromen-2-oneMol. Formula:
C20H20FNO3M.W.:
341.38Type:
Small moleculeAlogP:
4.26Polar Surface Area:
42.68HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA1765817Name:
3-(4-(Dimethylamino)phenyl)-6-(2-fluoroethoxy)-2H-chromen-2-oneMol. Formula:
C19H18FNO3M.W.:
327.36Type:
Small moleculeAlogP:
3.87Polar Surface Area:
42.68HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA1765816Name:
3-(4-(Dimethylamino)phenyl)-6-hydroxy-2H-chromen-2-oneMol. Formula:
C17H15NO3M.W.:
281.31Type:
Small moleculeAlogP:
3.23Polar Surface Area:
53.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA1765815Name:
3-(4-(Dimethylamino)phenyl)-2-oxo-2H-chromen-6-yl acetateMol. Formula:
C19H17NO4M.W.:
323.35Type:
Small moleculeAlogP:
3.45Polar Surface Area:
59.75HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA1765809Name:
7-(4-(diethylamino)phenyl)-3-(thiophene-2-carbonyl)-2H-chromen-2-oneMol. Formula:
C24H21NO3SM.W.:
403.50Type:
Small moleculeAlogP:
5.60Polar Surface Area:
50.52HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS-
Type:
Small moleculeAlogP:
5.86Polar Surface Area:
51.27HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA1765807
Name:
3-(1H-benzo[d]imidazol-2-yl)-7-(4-(diethylamino)phenyl)-2H-chromen-2-oneMol. Formula:
C26H23N3O2M.W.:
409.49Type:
Small moleculeAlogP:
5.85Polar Surface Area:
62.13HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1765806
Name:
3-(benzo[d]thiazol-2-yl)-7-(4-(diethylamino)phenyl)-2H-chromen-2-oneMol. Formula:
C26H22N2O2SM.W.:
426.54Type:
Small moleculeAlogP:
6.58Polar Surface Area:
46.34HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA1765805
Name:
3-(4-(bromomethyl)phenyl)-7-(4-(diethylamino)phenyl)-2H-chromen-2-oneMol. Formula:
C26H24BrNO2M.W.:
462.39Type:
Small moleculeAlogP:
6.87Polar Surface Area:
33.45HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA1765804
Name:
3-(4-aminophenyl)-7-(4-(diethylamino)phenyl)-2H-chromen-2-oneMol. Formula:
C25H24N2O2M.W.:
384.48Type:
Small moleculeAlogP:
5.56Polar Surface Area:
59.47HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA1765803
Name:
7-(4-(diethylamino)phenyl)-3-(4-nitrophenyl)-2H-chromen-2-oneMol. Formula:
C25H22N2O4M.W.:
414.46Type:
Small moleculeAlogP:
5.88Polar Surface Area:
76.59HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
56.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA1765801
Name:
3-(4-(Dimethylamino)phenyl)-6-fluoro-2H-chromen-2-oneMol. Formula:
C17H14FNO2M.W.:
283.30Type:
Small moleculeAlogP:
3.67Polar Surface Area:
33.45HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - 7-(Dimethylamino)-4-(trifluoromethyl)coumarin
Name:
7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-oneMol. Formula:
C12H10F3NO2M.W.:
257.21Type:
Small moleculeAlogP:
2.88Polar Surface Area:
33.45HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.51Polar Surface Area:
73.35HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
73.35HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS
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