Compounds

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ALA3409839
Name:
methyl 4-(3,5-bis(2-fluorobenzylidene)-4-oxopiperi
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Mol. Formula:
C24H21F2NO4
M.W.:
425.43

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
63.68
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
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ALA3409838
Name:
3,5-bis(pyridin-2-ylmethyl)piperidin-4-one

Mol. Formula:
C17H19N3O
M.W.:
281.36

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
1.67
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
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ALA3409837
Name:
(R)-3-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylen
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Mol. Formula:
C17H17N3O
M.W.:
279.34

2 activity values

1 unique targets
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
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ALA2431776
Name:
Ethyl 6-chloro-2-oxo-4-phenyl-2H-chromene-3-carbox
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Mol. Formula:
C18H13ClO4
M.W.:
328.75

23 activity values

17 unique targets
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
56.51
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE