Type:
UnknownAlogP:
2.55Polar Surface Area:
97.60HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS
ALA4796329Name:
9-(4-fluorophenethyl)-6[(4-fluorophenethyl)thio]-9H-purineMol. Formula:
C20H16F2N4SM.W.:
382.44Type:
UnknownAlogP:
4.49Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA4795521Name:
N-(4-((9H-purin-6-ylthio)methyl)phenyl)acetamideMol. Formula:
C14H13N5OSM.W.:
299.36Type:
UnknownAlogP:
2.60Polar Surface Area:
83.56HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA4794602Name:
9-(3-chlorophenethyl)-6-[(3-chlorophenethyl)thio]-9H-purineMol. Formula:
C20H16Cl2N4SM.W.:
415.35Type:
UnknownAlogP:
5.52Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA4791672Name:
9-(3-chlorobenzyl)-6-[(3-chlorobenzyl)thio]-9H-purineMol. Formula:
C19H14Cl2N4SM.W.:
401.32Type:
UnknownAlogP:
5.47Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS-
Type:
UnknownAlogP:
3.34Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
2.69Polar Surface Area:
63.69HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
2.55Polar Surface Area:
97.60HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
3.66Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
2.52Polar Surface Area:
78.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
3.34Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4781617
Name:
2-(9H-purin-6-ylthio)-1-(4-bromophenyl)ethanoneMol. Formula:
C13H9BrN4OSM.W.:
349.21Type:
UnknownAlogP:
3.09Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
3.37Polar Surface Area:
54.46HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
3.66Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4776679
Name:
4-[(3-Bromobenzyl)thio]thieno[2,3-d]pyrimidineMol. Formula:
C13H9BrN2S2M.W.:
337.27Type:
UnknownAlogP:
4.75Polar Surface Area:
25.78HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4776236
Name:
9-[2-(trifluoromethyl)benzyl]-6-[(2-(trifluoromethyl)benzyl)thio]-9H-purineMol. Formula:
C21H14F6N4SM.W.:
468.43Type:
UnknownAlogP:
6.20Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA4764259
Name:
9-(4-chlorophenethyl)-6-[(4-chlorophenethyl)thio]-9H-purineMol. Formula:
C20H16Cl2N4SM.W.:
415.35Type:
UnknownAlogP:
5.52Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4763745
Name:
9-(2-chlorophenethyl)-6-[(2-chlorophenethyl)thio]-9H-purineMol. Formula:
C20H16Cl2N4SM.W.:
415.35Type:
UnknownAlogP:
5.52Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4761066
Name:
9-(2-chlorobenzyl)-6-[(2-chlorobenzyl)thio]-9H-purineMol. Formula:
C19H14Cl2N4SM.W.:
401.32Type:
UnknownAlogP:
5.47Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
3.27Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
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