ALA447089Name:
2'-Deoxyzebularine 5'-[Naphthyl(benzoxydimethylglycinyl)]-phosphateMol. Formula:
C30H32N3O8PM.W.:
593.57Type:
Small moleculeAlogP:
4.36Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS
ALA501862Name:
2'-Deoxyzebularine 3',5'-Bis[phenyl(benzoxydimethylglycinyl)]phosphateMol. Formula:
C43H48N4O12P2M.W.:
874.82Type:
Small moleculeAlogP:
7.53Polar Surface Area:
191.84HBA:
14HBD:
2#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.06DETAILS
ALA458611Name:
2'-Deoxyzebularine 5'-[Phenyl(benzoxydimethylglycininyl)]-phosphateMol. Formula:
C26H30N3O8PM.W.:
543.51Type:
Small moleculeAlogP:
3.21Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA515376Name:
2'-Deoxy-2'-beta-fluorozebularine 5'-[Phenyl(benzoxy-L-alaninyl)]phosphateMol. Formula:
C25H27FN3O8PM.W.:
547.48Type:
Small moleculeAlogP:
2.76Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA506561Name:
2'-Deoxyzebularine 3',5'-Bis[naphthyl(ethoxydimethylglycinyl)]phosphateMol. Formula:
C41H48N4O12P2M.W.:
850.80Type:
Small moleculeAlogP:
7.48Polar Surface Area:
191.84HBA:
14HBD:
2#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.07DETAILS- ALA457694
Name:
2'-Deoxyzebularine 5'-[Naphthyl(ethoxydimethylglycinyl)]-phosphateMol. Formula:
C25H30N3O8PM.W.:
531.50Type:
Small moleculeAlogP:
3.18Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA458939
Name:
2'-Deoxyzebularine 5'-[Phenyl(benzoxy-L-alaninyl)]phosphateMol. Formula:
C25H28N3O8PM.W.:
529.49Type:
Small moleculeAlogP:
2.82Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA478399
Name:
2'-Deoxyzebularine 3',5'-Bis[4-chlorophenyl(ethoxy-L-alaninyl)]phosphateMol. Formula:
C31H38Cl2N4O12P2M.W.:
791.52Type:
Small moleculeAlogP:
5.70Polar Surface Area:
191.84HBA:
14HBD:
2#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.12DETAILS - ALA515534
Name:
2'-Deoxyzebularine 5'-[4-chlorophenyl(ethoxy-L-alaninyl)]phosphateMol. Formula:
C20H25ClN3O8PM.W.:
501.86Type:
Small moleculeAlogP:
2.29Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA463391
Name:
2'-beta-Fluoro-2'-deoxyzebularine-5'-[Phenyl(methoxy-L-alaninyl)]phosphateMol. Formula:
C19H23FN3O8PM.W.:
471.38Type:
Small moleculeAlogP:
1.19Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA463390
Name:
2'-Deoxyzebularine 5'-[Phenyl(methoxy-L-alaninyl)]phosphateMol. Formula:
C19H24N3O8PM.W.:
453.39Type:
Small moleculeAlogP:
1.25Polar Surface Area:
138.21HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS
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