Compounds

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ALA5279888
Name:
3-fluoro-1',6'-iso-3-deazaneplanocin A

Mol. Formula:
C12H13FN4O3
M.W.:
280.26

Type:
---
AlogP:
-0.66
Polar Surface Area:
117.42
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5275097
Name:
2-fluoro-1',6'-iso-3-deazaneplanocin A

Mol. Formula:
C12H13FN4O3
M.W.:
280.26

Type:
---
AlogP:
-0.66
Polar Surface Area:
117.42
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4080961
Name:
9-(trans-2',trans-3'-dihydroxycyclopent-4'-enyl)-3
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Mol. Formula:
C11H12N4O2
M.W.:
232.24

20 activity values

20 unique targets
Type:
Small molecule
AlogP:
-0.15
Polar Surface Area:
97.19
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
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ALA4101868
Name:
(1S,2S,3R,4S,5R)-4-(4-amino-1H-imidazo[4,5-c]pyrid
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Mol. Formula:
C12H14N4O2
M.W.:
246.27

18 activity values

18 unique targets
Type:
Small molecule
AlogP:
-0.07
Polar Surface Area:
97.19
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4097787
Name:
(1R,2S,5S)-5-(4-amino-7-bromo-1H-imidazo[4,5-c]pyr
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Mol. Formula:
C11H11BrN4O2
M.W.:
311.14

24 activity values

18 unique targets
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
97.19
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE