Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
-0.86Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
-1.41Polar Surface Area:
130.85HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
Small moleculeAlogP:
-1.58Polar Surface Area:
104.55HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-1.53Polar Surface Area:
127.69HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
-1.53Polar Surface Area:
127.69HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2112188
Name:
9-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-3,9-dihydro-purine-2,6-dioneMol. Formula:
C10H12N4O4M.W.:
252.23Type:
Small moleculeAlogP:
-0.92Polar Surface Area:
113.00HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2112187
Name:
[5-(2,6-Dichloro-purin-9-yl)-tetrahydro-furan-2-yl]-methanolMol. Formula:
C10H10Cl2N4O2M.W.:
289.12Type:
Small moleculeAlogP:
1.80Polar Surface Area:
73.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
0.06Polar Surface Area:
133.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-1.51Polar Surface Area:
104.55HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-1.53Polar Surface Area:
110.60HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
-0.07Polar Surface Area:
84.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA353197
Name:
(Z)-4-(6-Amino-purin-9-yl)-2-fluoro-but-2-en-1-olMol. Formula:
C9H10FN5OM.W.:
223.21Type:
Small moleculeAlogP:
0.25Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA352577
Name:
(E)-4-(6-Amino-purin-9-yl)-2-fluoro-but-2-en-1-olMol. Formula:
C9H10FN5OM.W.:
223.21Type:
Small moleculeAlogP:
0.25Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA164926
Name:
9-(1-Hydroxymethyl-propoxymethyl)-1,9-dihydro-purin-6-oneMol. Formula:
C10H14N4O3M.W.:
238.25Type:
Small moleculeAlogP:
0.28Polar Surface Area:
93.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA352048
Name:
4-Amino-1-(1-hydroxymethyl-propoxymethyl)-1H-pyrimidin-2-oneMol. Formula:
C9H15N3O3M.W.:
213.24Type:
Small moleculeAlogP:
-0.43Polar Surface Area:
90.37HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA350508
Name:
2-Amino-9-(1-hydroxymethyl-propoxymethyl)-1,9-dihydro-purin-6-oneMol. Formula:
C10H15N5O3M.W.:
253.26Type:
Small moleculeAlogP:
-0.14Polar Surface Area:
119.31HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
0.15Polar Surface Area:
99.08HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS
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