Compounds

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ALA3094072
Name:
1-((1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-cyclopentylethanone fumaricShow More⌵
Mol. Formula:
C18H28N2O5
M.W.:
352.43
7 activity values
6 unique targets
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.79
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ALA3094071
Name:
(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl(cyclopentyl)methanone fumaric aciShow More⌵
Mol. Formula:
C17H26N2O5
M.W.:
338.40

Type:
Small molecule
AlogP:
1.24
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
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ALA3094067
Name:
1-((1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone fumaric acid
Mol. Formula:
C13H20N2O5
M.W.:
284.31

Type:
Small molecule
AlogP:
0.07
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.56
DETAILS
CLOSE
ALA3093691
Name:
(E)-1-((1R,5S)-3,7-Diazabicyclo[3.3.1]nonan-3-yl)-3-(4-fluorophenyl)prop-2-Show More⌵
Mol. Formula:
C16H19FN2O
M.W.:
274.34
9 activity values
7 unique targets
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.84
DETAILS
CLOSE
ALA3093676
Name:
1-((1R,5S)-3,7-Diazabicyclo[3.3.1]nonan-3-yl)-2-(3-methylisoxazol-5-yl)ethaShow More⌵
Mol. Formula:
C13H19N3O2
M.W.:
249.31
11 activity values
7 unique targets
Type:
Small molecule
AlogP:
0.59
Polar Surface Area:
58.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE