Compounds

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ALA1631377
Name:
1-Ethenyl-6,8-difluoro-7-(4-bromo-piperidinyl)-4(1
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Mol. Formula:
C17H17BrF2N2O3
M.W.:
415.23

12 activity values

12 unique targets
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
62.54
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
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ALA1631376
Name:
1-Ethenyl-6,8-difluoro-7-(4-hydroxymethyl-piperidi
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Mol. Formula:
C18H20F2N2O4
M.W.:
366.36

16 activity values

16 unique targets
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
82.77
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA522106
Name:
7beta-hydroxypregna-4,17(20)-trans-diene-3,16-dion
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Mol. Formula:
C21H28O3
M.W.:
328.45

4 activity values

4 unique targets
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE