ALA3759052Name:
[18F]-1-(2-fluoroethoxy)-4-((4-methoxyphenoxy)methyl)benzeneMol. Formula:
C16H17FO3M.W.:
275.31Type:
Small moleculeAlogP:
3.62Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
46.15HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA3758918Name:
[18F]-1-(2-fluoroethoxy)-4-((4-methoxybenzyl)oxy)benzeneMol. Formula:
C16H17FO3M.W.:
275.31Type:
Small moleculeAlogP:
3.62Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
Small moleculeAlogP:
4.52Polar Surface Area:
123.90HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
5.18Polar Surface Area:
53.25HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
120.63HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA3217950
Name:
5,10,15,20-tetrakis(2,6-dichloro-3-N-ethylsulfamoylphenyl)bacteriochlorinMol. Formula:
C52H46Cl8N8O8S4M.W.:
1322.88Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-0.31Polar Surface Area:
285.91HBA:
10HBD:
8#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
99.80HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
87.48HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
111.27HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2385168
Name:
[125I]-(E)-4-[2-(6-Iodo-1H-benzimidazol-2-yl)ethenyl]-N,NdimethylanilineMol. Formula:
C17H16IN3M.W.:
387.24Type:
Small moleculeAlogP:
4.40Polar Surface Area:
31.92HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2385167
Name:
[125I]-(E)-4-[2-(6-Iodo-1H-benzimidazol-2-yl)ethenyl]-NmethylanilineMol. Formula:
C16H14IN3M.W.:
373.21Type:
Small moleculeAlogP:
4.38Polar Surface Area:
40.71HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2385166
Name:
[125I]-(E)-4-[2-(6-Iodo-1H-benzimidazol-2-yl)ethenyl]anilineMol. Formula:
C15H12IN3M.W.:
359.19Type:
Small moleculeAlogP:
3.92Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.80Polar Surface Area:
91.12HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2236112
Name:
[18F]-methyl 2-(4-(2-fluoroethoxy)benzamido)acetateMol. Formula:
C12H14FNO4M.W.:
254.25Type:
Small moleculeAlogP:
0.94Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2069436
Name:
[125I](Z)-2-(4-(Dimethylamino)benzylidene)-5-iodoindolin-3-oneMol. Formula:
C17H15IN2OM.W.:
388.22Type:
Small moleculeAlogP:
4.01Polar Surface Area:
32.34HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2069435
Name:
[125I](Z)-2-(4-(Methylamino)benzylidene)-5-iodoindolin-3-oneMol. Formula:
C16H13IN2OM.W.:
374.20Type:
Small moleculeAlogP:
3.98Polar Surface Area:
41.13HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2069434
Name:
[125I](E/Z)-3-(4-(Dimethylamino)benzylidene)-5-iodoindolin-2-oneMol. Formula:
C17H15IN2OM.W.:
388.22Type:
Small moleculeAlogP:
3.85Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
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