ALA5272532Name:
1-(2-(1H-indol-3-yl)ethyl)-3-(3,4-dichlorophenyl)thioureaMol. Formula:
C17H15Cl2N3SM.W.:
364.30Type:
---AlogP:
5.00Polar Surface Area:
39.85HBA:
1HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
---AlogP:
5.62Polar Surface Area:
114.26HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
---AlogP:
3.35Polar Surface Area:
63.58HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
---AlogP:
5.15Polar Surface Area:
127.40HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
---AlogP:
-0.60Polar Surface Area:
157.47HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
---AlogP:
0.43Polar Surface Area:
137.24HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
---AlogP:
0.20Polar Surface Area:
155.04HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
2.58Polar Surface Area:
89.91HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
4.00Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
3.49Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
UnknownAlogP:
3.61Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4787853
Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-dioxan-5-yl)nicotinamideMol. Formula:
C22H23N3O4M.W.:
393.44Type:
UnknownAlogP:
2.74Polar Surface Area:
82.57HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
2.07Polar Surface Area:
120.90HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
2.79Polar Surface Area:
111.67HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
4.00Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
3.29Polar Surface Area:
78.91HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
4.00Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
3.22Polar Surface Area:
93.47HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4764849
Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-dioxan-5-yl)picolinamideMol. Formula:
C22H23N3O4M.W.:
393.44Type:
UnknownAlogP:
2.74Polar Surface Area:
82.57HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.36Polar Surface Area:
78.91HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS
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