Compounds

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ALA452668
Name:
2-O-(11-dodecene-2,4-diynyl)-1,2-ethandiol

Mol. Formula:
C14H20O2
M.W.:
220.31

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
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ALA229004
Name:
8-(trifluoromethyl)pyridazino[4,5-b]phenazine-5,12
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Mol. Formula:
C15H5F3N4O2
M.W.:
330.23

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
85.70
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
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ALA218941
Name:
(R)-6''-debromohamacanthin B

Mol. Formula:
C20H15BrN4O
M.W.:
407.27

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
73.04
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
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ALA190299
Name:
4-[1-(2',5'-Dimethyl-2'H-[1,3']bipyrazolyl-4'-yl)-
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Mol. Formula:
C21H25N5O3
M.W.:
395.46

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
83.53
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE