Compounds

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ALA610440
Name:
5-(6-Amino-2-{2-[4-(2-{2-[2-(4-amino-3-iodo-phenyl)-acetylamino]-ethylcarbaShow More⌵
Mol. Formula:
C33H41IN10O6
M.W.:
800.66
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.41
Polar Surface Area:
244.66
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA321505
Name:
8-Cyclohexyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Mol. Formula:
C13H18N4O2
M.W.:
262.31
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.01
Polar Surface Area:
72.68
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA61234
Name:
(+)2-(2-Isopropenyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidaShow More⌵
Mol. Formula:
C14H16N2O2
M.W.:
244.29
15 activity values
5 unique targets
Type:
Small molecule
AlogP:
1.77
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA61325
Name:
2-(2-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole
Mol. Formula:
C12H14N2O2
M.W.:
218.26
15 activity values
5 unique targets
Type:
Small molecule
AlogP:
1.22
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA25810
Name:
8-(7-Methoxy-benzofuran-2-yl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
Mol. Formula:
C17H16N4O4
M.W.:
340.34
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.39
Polar Surface Area:
84.19
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE