Compounds

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ALA4092023
Name:
(E)-N-(4-((2-Fluoro-3-(4-methylpiperazin-1-yl)-11-
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Mol. Formula:
C33H42FN7O3
M.W.:
603.74

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
2.56
Polar Surface Area:
97.18
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
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ALA4088189
Name:
(E)-N-(4-((7-Fluoro-6-(4-methylpiperazin-1-yl)-9-o
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Mol. Formula:
C29H33FN6O2
M.W.:
516.62

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
73.71
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4079924
Name:
(E)-N-(4-((11-oxo-3-(3-(pyrrolidin-1-yl)propanamid
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Mol. Formula:
C33H40N6O3
M.W.:
568.72

10 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
99.57
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4104243
Name:
(E)-3-(4-(benzyloxy)-2-hydroxybenzylidene)-6-((3-(
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Mol. Formula:
C30H31FN4O3
M.W.:
514.60

85 activity values

4 unique targets
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
79.62
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE