Type:
---AlogP:
4.99Polar Surface Area:
46.28HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
---AlogP:
4.32Polar Surface Area:
40.95HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA5194563Name:
1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfinyl)piperidineMol. Formula:
C19H20F3NOSM.W.:
367.44Type:
---AlogP:
3.92Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA5175726Name:
4-amino-N-(1-(3-(4-fluorophenoxy)propyl)-4-methylpiperidin-4-yl)benzamideMol. Formula:
C22H28FN3O2M.W.:
385.48Type:
---AlogP:
3.46Polar Surface Area:
67.59HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
85.03HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
Small moleculeAlogP:
-5.52Polar Surface Area:
190.25HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
48.57HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.82Polar Surface Area:
28.48HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
28.48HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
44.81HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
4.78Polar Surface Area:
26.79HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.67Polar Surface Area:
27.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3799165
Name:
1-(4-chloro-3-nitrophenyl)-3-(1-phenylethyl)thioureaMol. Formula:
C15H14ClN3O2SM.W.:
335.82Type:
Small moleculeAlogP:
4.30Polar Surface Area:
67.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
67.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3799209
Name:
N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamideMol. Formula:
C14H10ClN3O3SM.W.:
335.77Type:
Small moleculeAlogP:
3.38Polar Surface Area:
84.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3798450
Name:
1-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)thioureaMol. Formula:
C13H9Cl2N3O2SM.W.:
342.21Type:
Small moleculeAlogP:
4.71Polar Surface Area:
67.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
67.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3798961
Name:
1-(2-Chlorophenyl)-3-[3-(trifluoromethyl)phenyl]thioureaMol. Formula:
C14H10ClF3N2SM.W.:
330.76Type:
Small moleculeAlogP:
5.17Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3797474
Name:
1-(4-Methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thioureaMol. Formula:
C15H13F3N2OSM.W.:
326.34Type:
Small moleculeAlogP:
4.52Polar Surface Area:
33.29HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
6.91Polar Surface Area:
64.53HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS
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