Type:
---AlogP:
-0.70Polar Surface Area:
197.90HBA:
12HBD:
6#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
---AlogP:
-2.06Polar Surface Area:
208.65HBA:
11HBD:
6#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA4648639Name:
2-(4-isopropylphenyl)cyclohexa-2,5-diene-1,4-dioneMol. Formula:
C15H14O2M.W.:
226.28Type:
UnknownAlogP:
2.90Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
3.18Polar Surface Area:
92.78HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
2.72Polar Surface Area:
92.78HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
UnknownAlogP:
3.06Polar Surface Area:
92.78HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4646708
Name:
tert-butyl 4-(3'-cyanobiphenylcarbonyl)piperazine-1-carboxylateMol. Formula:
C23H25N3O3M.W.:
391.47Type:
UnknownAlogP:
3.92Polar Surface Area:
73.64HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
4.28Polar Surface Area:
113.09HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4645857
Name:
2',5'-dimethoxy-4-(pyrrolidin-1-ylmethyl)biphenyl-3-amineMol. Formula:
C19H24N2O2M.W.:
312.41Type:
UnknownAlogP:
3.55Polar Surface Area:
47.72HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
UnknownAlogP:
2.32Polar Surface Area:
135.92HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
3.50Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4645328
Name:
2-(5-(piperazine-1-carbonyl)furan-2-yl)cyclohexa-2,5-diene-1,4-dioneMol. Formula:
C15H14N2O4M.W.:
286.29Type:
UnknownAlogP:
0.42Polar Surface Area:
79.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4644194
Name:
tert-butyl 4-(4'-cyanobiphenylcarbonyl)piperazine-1-carboxylateMol. Formula:
C23H25N3O3M.W.:
391.47Type:
UnknownAlogP:
3.92Polar Surface Area:
73.64HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
2.54Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA4642542
Name:
1-((2',5'-dimethoxy-3-nitrobiphenyl-4-yl)methyl)pyrrolidineMol. Formula:
C19H22N2O4M.W.:
342.40Type:
UnknownAlogP:
3.87Polar Surface Area:
64.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
2.86Polar Surface Area:
83.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
4.01Polar Surface Area:
77.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4641699
Name:
tert-butyl 4-((2',5'-dimethoxybiphenyl-4-yl)methyl)piperazine-1-carboxylateMol. Formula:
C24H32N2O4M.W.:
412.53Type:
UnknownAlogP:
4.42Polar Surface Area:
51.24HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.92Polar Surface Area:
83.55HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
4.19Polar Surface Area:
83.55HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS
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