ALA2368600Name:
9-(3-Azido-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-olMol. Formula:
C10H11N7O4M.W.:
293.24Type:
Small moleculeAlogP:
-0.54Polar Surface Area:
162.28HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA2311201Name:
2-(6-Hydroxyamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H13N5O5M.W.:
283.24Type:
Small moleculeAlogP:
-1.76Polar Surface Area:
145.78HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
-1.79Polar Surface Area:
136.99HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS
8-BromoinosineName:
2-(8-Bromo-6-hydroxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H11BrN4O5M.W.:
347.13Type:
Small moleculeAlogP:
-1.09Polar Surface Area:
133.75HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
6-Mercapto-9-(b-D-arabinofuranosyl)purineName:
2-Hydroxymethyl-5-(6-mercapto-purin-9-yl)-tetrahydro-furan-3,4-diolMol. Formula:
C10H12N4O4SM.W.:
284.30Type:
Small moleculeAlogP:
-1.27Polar Surface Area:
113.52HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS- ALA2094097
Name:
2-(6-Amino-8-bromo-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H12BrN5O4M.W.:
346.14Type:
Small moleculeAlogP:
-1.22Polar Surface Area:
139.54HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
-1.79Polar Surface Area:
136.99HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA2093970
Name:
2-(8-Bromo-6-hydroxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H11BrN4O5M.W.:
347.13Type:
Small moleculeAlogP:
-1.09Polar Surface Area:
133.75HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA2093096
Name:
2-(8-Azido-6-hydroxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H11N7O5M.W.:
309.24Type:
Small moleculeAlogP:
-0.91Polar Surface Area:
182.51HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA2093095
Name:
2-(8-Amino-6-hydroxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H13N5O5M.W.:
283.24Type:
Small moleculeAlogP:
-2.27Polar Surface Area:
159.77HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA2092761
Name:
2-(8-Amino-6-hydroxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H13N5O5M.W.:
283.24Type:
Small moleculeAlogP:
-2.27Polar Surface Area:
159.77HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA2092759
Name:
2-(8-Azido-6-hydroxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolMol. Formula:
C10H11N7O5M.W.:
309.24Type:
Small moleculeAlogP:
-0.91Polar Surface Area:
182.51HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA2092757
Name:
2-Hydroxymethyl-5-(6-hydroxy-purin-9-yl)-tetrahydro-furan-3,4-diolMol. Formula:
C10H12N4O5M.W.:
268.23Type:
Small moleculeAlogP:
-1.86Polar Surface Area:
133.75HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
-1.40Polar Surface Area:
162.69HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-3.27Polar Surface Area:
173.69HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
-2.21Polar Surface Area:
153.46HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
-1.57Polar Surface Area:
133.75HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS - Xanthosine
Name:
9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purine-2,6-diolMol. Formula:
C10H12N4O6M.W.:
284.23Type:
Small moleculeAlogP:
-2.15Polar Surface Area:
153.98HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
0.79Polar Surface Area:
33.12HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
-0.10Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.44DETAILS
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