Type:
Small moleculeAlogP:
8.41Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
-2.18Polar Surface Area:
99.38HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
6.24Polar Surface Area:
99.38HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILSType:
Small moleculeAlogP:
5.91Polar Surface Area:
74.58HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS- ALA3416684
Name:
4-(2-Hydroxy-3-p-tolylamino-propoxy)-chromen-2-oneMol. Formula:
C19H19NO4M.W.:
325.36Type:
Small moleculeAlogP:
2.95Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3416683
Name:
4-(2-Hydroxy-3-(2-oxo-2H-chromen-4-yloxy)-propylamino]-butyric acidMol. Formula:
C16H19NO6M.W.:
321.33Type:
Small moleculeAlogP:
0.99Polar Surface Area:
109.00HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3416682
Name:
4-(2-Hydroxy-3-octadec-8-enylamino-propoxy)-chromen-2-oneMol. Formula:
C30H47NO4M.W.:
485.71Type:
Small moleculeAlogP:
7.16Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA3416681
Name:
4-(3-Dodecylamino-2-hydroxy-propoxy)-chromen-2-oneMol. Formula:
C24H37NO4M.W.:
403.56Type:
Small moleculeAlogP:
5.04Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA3416680
Name:
4-(3-Butylamino-2-hydroxy-propoxy)-chromen-2-oneMol. Formula:
C16H21NO4M.W.:
291.35Type:
Small moleculeAlogP:
1.92Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3416679
Name:
4-(2-Hydroxy-3-morpholin-4-yl-propoxy)-chromen-2-oneMol. Formula:
C16H19NO5M.W.:
305.33Type:
Small moleculeAlogP:
0.86Polar Surface Area:
72.14HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3416678
Name:
4-(2-Hydroxy-3-piperidin-1-y)-propoxy)-chromen-2-oneMol. Formula:
C17H21NO4M.W.:
303.36Type:
Small moleculeAlogP:
2.02Polar Surface Area:
62.91HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3416677
Name:
4-[2-Hydroxy-3-(4-methyl-piperazin-1-yl)-propoxy]-chromen-2-oneMol. Formula:
C17H22N2O4M.W.:
318.37Type:
Small moleculeAlogP:
0.78Polar Surface Area:
66.15HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3416676
Name:
4-(3-Cyclohexylamino-2-hydroxy-propoxy)-chromen-2-oneMol. Formula:
C18H23NO4M.W.:
317.39Type:
Small moleculeAlogP:
2.46Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA3416675
Name:
4-(3-Cyclopropylamino-2-hydroxy-propoxy)-chromen-2-oneMol. Formula:
C15H17NO4M.W.:
275.30Type:
Small moleculeAlogP:
1.28Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS Type:
Small moleculeAlogP:
2.18Polar Surface Area:
23.55HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.67DETAILSType:
Small moleculeAlogP:
5.85Polar Surface Area:
62.55HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS