ALA4800559Name:
Rac-3-methyl-2-(3-(trifluoromethyl)benzylthio)butanamideMol. Formula:
C13H16F3NOSM.W.:
291.34Type:
UnknownAlogP:
3.45Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS
Type:
UnknownAlogP:
4.45Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
UnknownAlogP:
3.89Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
3.34Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
UnknownAlogP:
0.95Polar Surface Area:
63.40HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS-
Type:
UnknownAlogP:
2.90Polar Surface Area:
40.54HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
0.89Polar Surface Area:
43.09HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
0.51Polar Surface Area:
63.40HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4797034
Name:
2-cyclopentyl-2-(2,6-difluorobenzylthio)acetamideMol. Formula:
C14H17F2NOSM.W.:
285.36Type:
UnknownAlogP:
3.24Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
4.35Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
2.18Polar Surface Area:
29.10HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.58DETAILS - ALA4796131
Name:
3-((2-amino-1-cyclopentyl-2-oxoethylthio)methyl)phenylboronic acidMol. Formula:
C14H20BNO3SM.W.:
293.20Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4795572
Name:
2-cyclopentyl-2-(3,5-difluorobenzylthio)acetamideMol. Formula:
C14H17F2NOSM.W.:
285.36Type:
UnknownAlogP:
3.24Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4795018
Name:
2-phenyl-2-(4-(trifluoromethoxy)benzylthio)acetamideMol. Formula:
C16H14F3NO2SM.W.:
341.35Type:
UnknownAlogP:
4.05Polar Surface Area:
52.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
UnknownAlogP:
3.46Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
2.73Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
1.81Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
-0.39Polar Surface Area:
55.12HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.51DETAILS - ALA4793637
Name:
3-((2-amino-1-cyclopentyl-2-oxoethylthio)methyl)benzoic acidMol. Formula:
C15H19NO3SM.W.:
293.39Type:
UnknownAlogP:
2.66Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4793169
Name:
4-((2-amino-1-cyclopentyl-2-oxoethylthio)methyl)benzoic acidMol. Formula:
C15H19NO3SM.W.:
293.39Type:
UnknownAlogP:
2.66Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS
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