ALA4578563Name:
8-hydroxy-2-(4-propyl-1H-1,2,3-triazol-1-yl)naphthalene-1,4-dioneMol. Formula:
C15H13N3O3M.W.:
283.29Type:
UnknownAlogP:
1.86Polar Surface Area:
85.08HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS
Type:
UnknownAlogP:
1.52Polar Surface Area:
105.31HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA4463837Name:
8-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)naphthalene-1,4-dioneMol. Formula:
C18H11N3O3M.W.:
317.30Type:
UnknownAlogP:
2.57Polar Surface Area:
85.08HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4454986Name:
2-(4-butyl-1H-1,2,3-triazol-1-yl)-8-hydroxynaphthalene-1,4-dioneMol. Formula:
C16H15N3O3M.W.:
297.31Type:
UnknownAlogP:
2.25Polar Surface Area:
85.08HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS
ALA4445773Name:
2-(4-(3-chloropropyl)-1H-1,2,3-triazol-1-yl)-8-hydroxynaphthalene-1,4-dioneMol. Formula:
C15H12ClN3O3M.W.:
317.73Type:
UnknownAlogP:
2.08Polar Surface Area:
85.08HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS-
Type:
UnknownAlogP:
2.16Polar Surface Area:
105.31HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
9.31Polar Surface Area:
139.08HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA4293271
Name:
2-hydroxy-3-(3-methoxyphenyl)naphthalene-1,4-dioneMol. Formula:
C17H12O4M.W.:
280.28Type:
Small moleculeAlogP:
3.04Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4290432
Name:
4-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzonitrileMol. Formula:
C17H9NO3M.W.:
275.26Type:
Small moleculeAlogP:
2.91Polar Surface Area:
78.16HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4285438
Name:
2-hydroxy-3-(4-methoxyphenyl)naphthalene-1,4-dioneMol. Formula:
C17H12O4M.W.:
280.28Type:
Small moleculeAlogP:
3.04Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4285010
Name:
2-(3-fluorophenyl)-3-hydroxynaphthalene-1,4-dioneMol. Formula:
C16H9FO3M.W.:
268.24Type:
Small moleculeAlogP:
3.17Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
1.47Polar Surface Area:
302.27HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
9.31Polar Surface Area:
139.08HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
4.86Polar Surface Area:
94.48HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
5.47Polar Surface Area:
83.04HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
103.27HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
83.04HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.74Polar Surface Area:
83.48HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
94.48HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.48Polar Surface Area:
97.03HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS
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