Type:
UnknownAlogP:
9.26Polar Surface Area:
112.65HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS
ALA3818281Name:
1-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-pentan-1-oneMol. Formula:
C18H24N2O3M.W.:
316.40Type:
Small moleculeAlogP:
3.97Polar Surface Area:
65.22HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA3818906Name:
1-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)-2-(4-methoxyphenethylthio)ethanoneMol. Formula:
C17H22N2O3SM.W.:
334.44Type:
Small moleculeAlogP:
3.53Polar Surface Area:
65.22HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA3818565Name:
3,3,4,4,4-Pentafluoro-1-(phenethylthio)butan-2-oneMol. Formula:
C12H11F5OSM.W.:
298.28Type:
Small moleculeAlogP:
3.73Polar Surface Area:
17.07HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA3819272Name:
1,1,1-Trifluoro-3-((2-(naphthalen-2-yl)ethyl)thio)propan-2-oneMol. Formula:
C15H13F3OSM.W.:
298.33Type:
Small moleculeAlogP:
4.25Polar Surface Area:
17.07HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS- ALA3818981
Name:
3,3,4,4,4-Pentafluoro-1-((4-methoxyphenethyl)thio)butan-2-oneMol. Formula:
C13H13F5O2SM.W.:
328.30Type:
Small moleculeAlogP:
3.74Polar Surface Area:
26.30HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA3818590
Name:
1,1,1-Trifluoro-3-((4-methoxyphenethyl)thio)propan-2-oneMol. Formula:
C12H13F3O2SM.W.:
278.30Type:
Small moleculeAlogP:
3.10Polar Surface Area:
26.30HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
5.19Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.80Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA1097047
Name:
1,1,1,2,2,3,3-Heptafluoro-8-(naphthalen-2-yl)octan-4-oneMol. Formula:
C18H15F7OM.W.:
380.30Type:
Small moleculeAlogP:
5.95Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA1097046
Name:
1,1,1,2,2-Pentafluoro-7-(naphthalen-2-yl)heptan-3-oneMol. Formula:
C17H15F5OM.W.:
330.30Type:
Small moleculeAlogP:
5.32Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA1098410
Name:
1,1,1,2,2-Pentafluoro-6-(4-octylphenoxy)hexan-3-oneMol. Formula:
C20H27F5O2M.W.:
394.42Type:
Small moleculeAlogP:
6.52Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
5.15Polar Surface Area:
72.47HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA573331
Name:
(S)-Methyl 2-(3-methyl-2-(2-oxohexadecanamido)butanamido)acetateMol. Formula:
C24H44N2O5M.W.:
440.63Type:
Small moleculeAlogP:
4.08Polar Surface Area:
101.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
83.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.27DETAILS
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