Compounds

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D-Eritadenine
Name:
eritadenine
Mol. Formula:
C9H11N5O4
M.W.:
253.22
13 activity values
13 unique targets
Type:
Small molecule
AlogP:
-1.79
Polar Surface Area:
147.38
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA605813
Name:
2-(6-Amino-purin-9-yl)-5-isobutylsulfanylmethyl-tetrahydro-furan-3,4-diol
Mol. Formula:
C14H21N5O3S
M.W.:
339.42
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.42
Polar Surface Area:
119.31
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
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ALA604650
Name:
5-(6-Amino-purin-9-yl)-2-fluoro-2-hydroxymethyl-tetrahydro-furan-3,4-diol
Mol. Formula:
C10H12FN5O4
M.W.:
285.24
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.68
Polar Surface Area:
139.54
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
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ALA171369
Name:
2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydro-furan-3,4-diol
Mol. Formula:
C10H10FN5O3
M.W.:
267.22
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.53
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA171700
Name:
2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydro-furan-3,4-diol
Mol. Formula:
C10H10FN5O3
M.W.:
267.22
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.53
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA142828
Name:
4-[5-(6-amino-9H-9-purinyl)-3,4-dihydroxy-(3S,4R)-tetrahydro-2-furanylmethyShow More⌵
Mol. Formula:
C14H20N6O5S
M.W.:
384.42
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.44
Polar Surface Area:
182.63
HBA:
11
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
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ALA49204
Name:
(1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth-(Z)-ylidene]-cyclopentanShow More⌵
Mol. Formula:
C11H12FN5O2
M.W.:
265.25
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.07
Polar Surface Area:
110.08
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
S-(5′-Adenosyl)-L-homocysteine
Name:
2-Amino-4-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethylShow More⌵
Mol. Formula:
C14H20N6O5S
M.W.:
384.42
213 activity values
59 unique targets
Type:
Small molecule
AlogP:
-1.44
Polar Surface Area:
182.63
HBA:
11
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE