Type:
---AlogP:
3.57Polar Surface Area:
91.37HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA5279437Name:
ethyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylateMol. Formula:
C15H25NO4M.W.:
283.37Type:
---AlogP:
1.94Polar Surface Area:
63.68HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
5.50Polar Surface Area:
63.68HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS-
Type:
---AlogP:
6.31Polar Surface Area:
206.43HBA:
13HBD:
4#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
5.70Polar Surface Area:
180.13HBA:
11HBD:
4#RO5 Violations:
3#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
6.73Polar Surface Area:
159.90HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
6.35Polar Surface Area:
169.13HBA:
11HBD:
3#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
6.07Polar Surface Area:
170.90HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
---AlogP:
6.41Polar Surface Area:
186.20HBA:
12HBD:
3#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
5.75Polar Surface Area:
103.40HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
4.09Polar Surface Area:
140.70HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
5.06Polar Surface Area:
91.37HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
3.25Polar Surface Area:
77.24HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4790319
Name:
1-Carboxymethyl-4-[4-(methoxy)phenylthiomethyl]-1H-1,2,3-triazoleMol. Formula:
C12H13N3O3SM.W.:
279.32Type:
UnknownAlogP:
1.66Polar Surface Area:
77.24HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
5.20Polar Surface Area:
111.60HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
77.24HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
77.24HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4782197
Name:
1-Carboxymethyl-4-(phenylthiomethyl)-1H-1,2,3-triazoleMol. Formula:
C11H11N3O2SM.W.:
249.29Type:
UnknownAlogP:
1.66Polar Surface Area:
68.01HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
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