Type:
UnknownAlogP:
2.34Polar Surface Area:
130.36HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4794389Name:
Se-(4-methoxyphenyl)O,O-dimethyl phosphoroselenoateMol. Formula:
C9H13O4PSeM.W.:
295.13Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
1.96Polar Surface Area:
76.38HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS-
Type:
Small moleculeAlogP:
-0.25Polar Surface Area:
176.64HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA3793584
Name:
4-((3,5-Dichloro-2-methoxybenzyl)amino)-2-hydroxybenzoic acidMol. Formula:
C15H13Cl2NO4M.W.:
342.18Type:
Small moleculeAlogP:
4.02Polar Surface Area:
78.79HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3793387
Name:
Cyclohexyl 4-((3,5-dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoateMol. Formula:
C20H21Cl2NO4M.W.:
410.30Type:
Small moleculeAlogP:
5.51Polar Surface Area:
78.79HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3793960
Name:
Ethyl 4-((3,5-dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoateMol. Formula:
C16H15Cl2NO4M.W.:
356.20Type:
Small moleculeAlogP:
4.19Polar Surface Area:
78.79HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA3792609
Name:
Methyl 4-((3,5-dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoateMol. Formula:
C15H13Cl2NO4M.W.:
342.18Type:
Small moleculeAlogP:
3.80Polar Surface Area:
78.79HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3792607
Name:
4-((3,5-Dichloro-2-hydroxybenzyl)amino)-2-methoxybenzoic acidMol. Formula:
C15H13Cl2NO4M.W.:
342.18Type:
Small moleculeAlogP:
4.02Polar Surface Area:
78.79HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3794083
Name:
4-((3,5-Dichloro-2-hydroxybenzyl)(methyl)amino)-2-hydroxybenzoic acidMol. Formula:
C15H13Cl2NO4M.W.:
342.18Type:
Small moleculeAlogP:
3.74Polar Surface Area:
81.00HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
86.37HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
86.20HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
75.12HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3601625
Name:
2-methyl-5-(3-(4-([11C]-methylthio)phenyl)benzofuran-5-yl)-1,3,4-oxadiazoleMol. Formula:
C18H14N2O2SM.W.:
321.39Type:
Small moleculeAlogP:
5.18Polar Surface Area:
52.06HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3350362
Name:
[11C]-1-(3-hydroperoxy-4-methoxyphenethyl)-4-(3-phenylpropyl)piperazineMol. Formula:
C22H30N2O3M.W.:
369.49Type:
Small moleculeAlogP:
3.34Polar Surface Area:
45.17HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
108.09HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.51Polar Surface Area:
127.84HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.20DETAILS
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