Compounds

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ALA2282147
Name:
1-(4-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-on
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Cas Number:
952578-23-3

Mol. Formula:
C15H12ClNO
M.W.:
257.72

5 activity values

4 unique targets
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
43.09
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
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ALA2282038
Name:
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-o
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Mol. Formula:
C15H11NO4
M.W.:
269.26

5 activity values

4 unique targets
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
80.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
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ALA2282028
Name:
1-(3-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-on
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Mol. Formula:
C14H11NO2
M.W.:
225.25

5 activity values

4 unique targets
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
50.19
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.65
DETAILS
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