Type:
Small moleculeAlogP:
8.41Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
6.24Polar Surface Area:
99.38HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
Small moleculeAlogP:
-2.18Polar Surface Area:
99.38HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
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 -
Type:
Small moleculeAlogP:
0.99Polar Surface Area:
109.00HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
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 -
Type:
Small moleculeAlogP:
0.86Polar Surface Area:
72.14HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
2.02Polar Surface Area:
62.91HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
0.78Polar Surface Area:
66.15HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.46Polar Surface Area:
71.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
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:
0.67DETAILS -
Type:
Small moleculeAlogP:
5.85Polar Surface Area:
62.55HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
5.39Polar Surface Area:
75.69HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
71.78HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS
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