Compounds

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ALA3251365
Name:
((2R,3S,4R,5R)-5-(6-(6-acetamidohexylamino)-9H-purin-9-yl)-3,4-dihydroxytetShow More⌵
Mol. Formula:
C18H31N6O14P3
M.W.:
648.40
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.10
Polar Surface Area:
294.24
HBA:
15
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3250739
Name:
Phosphoric acid mono-[5-(6-amino-2-ethylamino-purin-9-yl)-3,4-dihydroxy-tetShow More⌵
Mol. Formula:
C12H19N6O7P
M.W.:
390.29
10 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.43
Polar Surface Area:
198.10
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1788159
Name:
Sodium salt of 6-(n-butylthio)-9-beta-D-ribofuranosylpurine 5'-thiophosphatShow More⌵
Mol. Formula:
C14H22N4NaO13P3S
M.W.:
602.32
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.68
Polar Surface Area:
253.11
HBA:
14
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA1744388
Name:
Sodium salt of 6-(di-n-butylamino)-9-beta-D-ribofuranosylpurine 5'-thiophosShow More⌵
Mol. Formula:
C18H31N5NaO13P3
M.W.:
641.38
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.20
Polar Surface Area:
256.35
HBA:
14
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1744387
Name:
Sodium salt of N-(6-aminohexyl)acetamide ATP derivative
Mol. Formula:
C18H30N6NaO14P3
M.W.:
670.38
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.10
Polar Surface Area:
294.24
HBA:
15
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE