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ALA5278570 Name:
3-(5-carboxythiophen-2-yl)quinoline-5,8-dicarboxyl
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Mol. Formula:
C16H9NO6S
M.W.:
343.32
Type:
---
AlogP:
3.06
Polar Surface Area:
124.79
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5278548 Name:
3-(3,6-dimethoxypyridazin-4-yl)quinoline-5,8-dicar
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Mol. Formula:
C17H13N3O6
M.W.:
355.31
Type:
---
AlogP:
2.11
Polar Surface Area:
131.73
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5290257 Name:
3-(2,4-dimethoxypyrimidin-5-yl)quinoline-5,8-dicar
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Mol. Formula:
C17H13N3O6
M.W.:
355.31
Type:
---
AlogP:
2.11
Polar Surface Area:
131.73
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5277662 Name:
3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)i
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Mol. Formula:
C14H12N4O2
M.W.:
268.28
Type:
---
AlogP:
2.41
Polar Surface Area:
80.04
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5274500 Name:
3-(4-fluoro-3-methoxyphenyl)quinoline-5,8-dicarbox
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Mol. Formula:
C18H12FNO5
M.W.:
341.29
Type:
---
AlogP:
3.45
Polar Surface Area:
96.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5269222 Name:
3-(4-sulfamoylphenyl)quinoline-5,8-dicarboxylic ac
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Mol. Formula:
C17H12N2O6S
M.W.:
372.36
Type:
---
AlogP:
1.95
Polar Surface Area:
147.65
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5266075 Name:
3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarbox
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Mol. Formula:
C18H12FNO5
M.W.:
341.29
Type:
---
AlogP:
3.45
Polar Surface Area:
96.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5220431 Name:
6-(((4-Aminophenyl)amino)-3-hydroxypicolinoyl)glyc
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Mol. Formula:
C14H14N4O4
M.W.:
302.29
Type:
---
AlogP:
0.93
Polar Surface Area:
137.57
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5220246 Name:
6-(((4-(Dimethylcarbamoyl)phenyl)amino)-3-hydroxyp
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Mol. Formula:
C17H18N4O5
M.W.:
358.35
Type:
---
AlogP:
1.05
Polar Surface Area:
131.86
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5220148 Name:
6-(((5-Aminopyridin-2-yl)amino)-3-hydroxypicolinoy
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Mol. Formula:
C13H13N5O4
M.W.:
303.28
Type:
---
AlogP:
0.32
Polar Surface Area:
150.46
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5220094 Name:
3-Hydroxy-6-(((5-nitropyridin-2-yl)amino)picolinoy
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Mol. Formula:
C13H11N5O6
M.W.:
333.26
Type:
---
AlogP:
0.65
Polar Surface Area:
167.58
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5219989 Name:
N-((3-Hydroxy-6-(quinolin-5-yl)pyridin-2-yl)carbon
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Mol. Formula:
C17H13N3O4
M.W.:
323.31
Type:
---
AlogP:
1.82
Polar Surface Area:
112.41
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5219846 Name:
3-Hydroxy-6-(((4-nitrophenyl)amino)picolinoyl)glyc
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Mol. Formula:
C14H12N4O6
M.W.:
332.27
Type:
---
AlogP:
1.25
Polar Surface Area:
154.69
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5219491 Name:
N-((6-(Biphenyl-2-yl)-3-hydroxypyridin-2-yl)carbon
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Mol. Formula:
C20H16N2O4
M.W.:
348.36
Type:
---
AlogP:
2.94
Polar Surface Area:
99.52
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5219336 Name:
3-Hydroxy-6-(((4-(methylcarbamoyl)phenyl)amino)pic
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Mol. Formula:
C16H16N4O5
M.W.:
344.33
Type:
---
AlogP:
0.70
Polar Surface Area:
140.65
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5219099 Name:
3-Hydroxy-6-(((4-(methoxycarbonyl)phenyl)amino)pic
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Mol. Formula:
C16H15N3O6
M.W.:
345.31
Type:
---
AlogP:
1.13
Polar Surface Area:
137.85
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5219094 Name:
N-((3-Hydroxy-6-phenylpyridin-2-yl)carbonyl)glycin
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Mol. Formula:
C14H12N2O4
M.W.:
272.26
Type:
---
AlogP:
1.27
Polar Surface Area:
99.52
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5218636 Name:
N-((3-Hydroxy-6-(naphthalen-1-yl)pyridin-2-yl)carb
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Mol. Formula:
C18H14N2O4
M.W.:
322.32
Type:
---
AlogP:
2.42
Polar Surface Area:
99.52
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5196038 Name:
7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-
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Cas Number:
114240-18-5
Mol. Formula:
C26H28O13
M.W.:
548.50
Type:
---
AlogP:
-1.15
Polar Surface Area:
219.74
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4553225 Name:
2-(6-Methoxy-benzo[1,3]dioxol-5-yl)-benzooxazole
Mol. Formula:
C15H11NO4
M.W.:
269.26
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
53.72
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
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