Type:
Small moleculeAlogP:
1.15Polar Surface Area:
130.58HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
-0.61Polar Surface Area:
130.58HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
0.50Polar Surface Area:
130.58HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
-1.03Polar Surface Area:
109.48HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
-0.70Polar Surface Area:
117.44HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS-
Type:
Small moleculeAlogP:
-0.39Polar Surface Area:
117.44HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-0.86Polar Surface Area:
130.58HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
0.97Polar Surface Area:
117.44HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
-1.42Polar Surface Area:
122.37HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
0.19Polar Surface Area:
110.60HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
0.22Polar Surface Area:
84.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2051948
Name:
4-(6-Amino-purin-9-yl)-cyclopentane-1,2,3-triolMol. Formula:
C10H13N5O3M.W.:
251.25Type:
Small moleculeAlogP:
-1.56Polar Surface Area:
130.31HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
104.55HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
-1.98Polar Surface Area:
168.64HBA:
11HBD:
6#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
-1.42Polar Surface Area:
139.54HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
-0.92Polar Surface Area:
113.52HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
-1.67Polar Surface Area:
139.54HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
-1.12Polar Surface Area:
124.78HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA494759
Name:
3-(6-Amino-purin-9-yl)-propane-1,2-diolCas Number:
54262-83-8Mol. Formula:
C8H11N5O2M.W.:
209.21Type:
Small moleculeAlogP:
-1.24Polar Surface Area:
110.08HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA405082
Name:
4-(6-Amino-purin-9-yl)-cyclopentane-1,2,3-triolMol. Formula:
C10H13N5O3M.W.:
251.25Type:
Small moleculeAlogP:
-1.56Polar Surface Area:
130.31HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS
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