Type:
UnknownAlogP:
2.13Polar Surface Area:
90.88HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA3109924Name:
N,N-Dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamineMol. Formula:
C12H19NO2SM.W.:
241.36Type:
Small moleculeAlogP:
1.47Polar Surface Area:
37.38HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
97.33HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA3109921Name:
3-(Dimethylamino)propyl Hydrogen 4-MethylbenzylphosphonateMol. Formula:
C13H22NO3PM.W.:
271.30Type:
Small moleculeAlogP:
2.65Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA3109920Name:
2-(Dimethylamino)ethyl Hydrogen 4-NitrobenzylphosphonateMol. Formula:
C11H17N2O5PM.W.:
288.24Type:
Small moleculeAlogP:
1.86Polar Surface Area:
92.91HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS- ALA3109919
Name:
2-(Dimethylamino)ethyl Hydrogen 4-MethylbenzylphosphonateMol. Formula:
C12H20NO3PM.W.:
257.27Type:
Small moleculeAlogP:
2.26Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3109918
Name:
2-(Dimethylamino)ethyl Hydrogen 4-BromobenzylphosphonateMol. Formula:
C11H17BrNO3PM.W.:
322.14Type:
Small moleculeAlogP:
2.71Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.86Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3109916
Name:
1-(4-Methylphenyl)-N-[2-(4-morpholinyl)ethyl]methanesulfonamideMol. Formula:
C14H22N2O3SM.W.:
298.41Type:
Small moleculeAlogP:
0.75Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA3109915
Name:
1-(4-Methylphenyl)-N-[2-(1-pyrrolidinyl)ethyl]methanesulfonamideMol. Formula:
C14H22N2O2SM.W.:
282.41Type:
Small moleculeAlogP:
1.51Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3109914
Name:
N-[2-(Dimethylamino)ethyl](4-methylphenyl)methanesulfonamideMol. Formula:
C12H20N2O2SM.W.:
256.37Type:
Small moleculeAlogP:
0.98Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3109913
Name:
1-(4-Fluorophenyl)-N-[2-(4-morpholinyl)ethyl]methanesulfonamideMol. Formula:
C13H19FN2O3SM.W.:
302.37Type:
Small moleculeAlogP:
0.58Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3109912
Name:
1-(4-Fluorophenyl)-N-[2-(1-pyrrolidinyl)ethyl]methanesulfonamideMol. Formula:
C13H19FN2O2SM.W.:
286.37Type:
Small moleculeAlogP:
1.34Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3109911
Name:
N-[2-(Dimethylamino)ethyl](4-fluorophenyl)methanesulfonamideMol. Formula:
C11H17FN2O2SM.W.:
260.33Type:
Small moleculeAlogP:
0.81Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3109910
Name:
1-(4-Bromophenyl)-N-[2-(4-morpholinyl)ethyl]methanesulfonamideMol. Formula:
C13H19BrN2O3SM.W.:
363.28Type:
Small moleculeAlogP:
1.20Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3109909
Name:
1-(4-bromophenyl)-N-(2-(pyrrolidin-1-yl)ethyl)methanesulfonamideMol. Formula:
C13H19BrN2O2SM.W.:
347.28Type:
Small moleculeAlogP:
1.96Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3109908
Name:
1-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamideMol. Formula:
C11H17BrN2O2SM.W.:
321.24Type:
Small moleculeAlogP:
1.43Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3109907
Name:
N-[2-(4-Morpholinyl)ethyl](phenyl)methanesulfonamideMol. Formula:
C13H20N2O3SM.W.:
284.38Type:
Small moleculeAlogP:
0.44Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3109906
Name:
1-Phenyl-N-[2-(1-pyrrolidinyl)ethyl]methanesulfonamideMol. Formula:
C13H20N2O2SM.W.:
268.38Type:
Small moleculeAlogP:
1.20Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA3109905
Name:
1-phenyl-N-[2-(dimethylamino)ethyl]methanesulfonamideMol. Formula:
C11H18N2O2SM.W.:
242.34Type:
Small moleculeAlogP:
0.67Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS
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