Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
2.83Polar Surface Area:
53.84HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA5182997Name:
1-(2-methoxyphenyl)-4-(4-(2-(methylthio)-1H-imidazol-1-yl)butyl)piperazineMol. Formula:
C19H28N4OSM.W.:
360.53Type:
---AlogP:
3.22Polar Surface Area:
33.53HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA5181992Name:
6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-olMol. Formula:
C18H19NOM.W.:
265.36Type:
---AlogP:
3.45Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
---AlogP:
2.76Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS- ALA5181399
Name:
(+/-)-8-(methylthio)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amineMol. Formula:
C17H27NSM.W.:
277.48Type:
---AlogP:
4.39Polar Surface Area:
3.24HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
2.10Polar Surface Area:
69.64HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
53.09HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
43.86HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
56.75HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
43.86HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4218943
Name:
N-(3-(4-(2-cyanophenyl)piperazin-1-yl)propyl)picolinamideMol. Formula:
C20H23N5OM.W.:
349.44Type:
Small moleculeAlogP:
1.90Polar Surface Area:
72.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4218931
Name:
N-(3-(4-phenylpiperazin-1-yl)propyl)picolinamideMol. Formula:
C19H24N4OM.W.:
324.43Type:
Small moleculeAlogP:
2.02Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
3.50Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4218351
Name:
N-(3-(4-(2-fluorophenyl)piperazin-1-yl)propyl)picolinamideMol. Formula:
C19H23FN4OM.W.:
342.42Type:
Small moleculeAlogP:
2.16Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4218142
Name:
N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)picolinamideMol. Formula:
C17H22N6OM.W.:
326.40Type:
Small moleculeAlogP:
0.81Polar Surface Area:
74.25HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4217522
Name:
N-(2-(4-(2-cyanophenyl)piperazin-1-yl)ethyl)picolinamideMol. Formula:
C19H21N5OM.W.:
335.41Type:
Small moleculeAlogP:
1.51Polar Surface Area:
72.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
4.29Polar Surface Area:
35.94HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4217302
Name:
N-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)picolinamideMol. Formula:
C18H21FN4OM.W.:
328.39Type:
Small moleculeAlogP:
1.77Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
1.63Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS
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