ALA3623113Name:
(E)-2-(2-(3,5-Dimethylstyryl)phenyl)isoindoline-1,3-dioneMol. Formula:
C24H19NO2M.W.:
353.42Type:
Small moleculeAlogP:
5.27Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA3623112Name:
(E)-2-(2-(3,4-Dimethylstyryl)phenyl)isoindoline-1,3-dioneMol. Formula:
C24H19NO2M.W.:
353.42Type:
Small moleculeAlogP:
5.27Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA3621225Name:
(E)-2-(2-(3-Methylstyryl)phenyl)isoindoline-1,3-dioneMol. Formula:
C23H17NO2M.W.:
339.39Type:
Small moleculeAlogP:
4.97Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA3623111Name:
(E)-2-(2-(2-Methylstyryl)phenyl)isoindoline-1,3-dioneMol. Formula:
C23H17NO2M.W.:
339.39Type:
Small moleculeAlogP:
4.97Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA3623110Name:
(Z)-2-(2-(3,4-Dimethoxystyryl)phenyl)isoindoline-1,3-dioneMol. Formula:
C24H19NO4M.W.:
385.42Type:
Small moleculeAlogP:
4.67Polar Surface Area:
55.84HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS- ALA3623109
Name:
(E)-2-(2-(3,4,5-Trimethoxystyryl)phenyl)isoindoline-1,3-dioneMol. Formula:
C25H21NO5M.W.:
415.45Type:
Small moleculeAlogP:
4.68Polar Surface Area:
65.07HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
5.55Polar Surface Area:
72.19HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
5.11Polar Surface Area:
78.26HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
51.96HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
51.96HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
6.71Polar Surface Area:
51.96HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
6.34Polar Surface Area:
51.96HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.40Polar Surface Area:
83.09HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
6.52Polar Surface Area:
55.02HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA3115942
Name:
(2S,3S)-1-((6-Methoxynaphthalen-2-yl)methoxy)-2,6-dimethylheptan-3-olMol. Formula:
C21H30O3M.W.:
330.47Type:
Small moleculeAlogP:
4.80Polar Surface Area:
38.69HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
6.79Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA3100025
Name:
(2S,3S)-2,6-dimethyl-1-(4-(pyrrolidin-1-ylsulfonyl)benzyloxy)heptan-3-olMol. Formula:
C20H33NO4SM.W.:
383.55Type:
Small moleculeAlogP:
3.42Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.65Polar Surface Area:
40.54HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
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