ALA5219467Name:
1-(4-methyl-3-((4-methylpiperazin-1-yl)methyl)phenylsulfonyl)-1H-indoleMol. Formula:
C21H25N3O2SM.W.:
383.52Type:
---AlogP:
2.93Polar Surface Area:
45.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
---AlogP:
4.21Polar Surface Area:
67.23HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
3.22Polar Surface Area:
79.90HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
---AlogP:
3.28Polar Surface Area:
80.20HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
---AlogP:
3.39Polar Surface Area:
71.17HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS- ALA5209131
Name:
1-(3-chlorobenzyl)-4-(4-methoxypiperidin-1-yl)-1H-pyrrolo[3,2-c]quinolineMol. Formula:
C24H24ClN3OM.W.:
405.93Type:
---AlogP:
5.51Polar Surface Area:
30.29HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5207516
Name:
3-(difluoromethyl)-1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indoleMol. Formula:
C19H19F2N3O2SM.W.:
391.44Type:
---AlogP:
3.23Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
3.88Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
5.48Polar Surface Area:
39.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA5206470
Name:
3-(difluoromethyl)-1-(2-fluorophenylsulfonyl)-4-(piperazin-1-yl)-1H-indoleMol. Formula:
C19H18F3N3O2SM.W.:
409.43Type:
---AlogP:
3.36Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
2.96Polar Surface Area:
51.54HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5201892
Name:
1-(1-(3-chlorobenzyl)-1H-pyrrolo[3,2-c]quinolin-4-yl)piperidin-3-olMol. Formula:
C23H22ClN3OM.W.:
391.90Type:
---AlogP:
4.85Polar Surface Area:
41.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - [¹¹C]GSK215083
Name:
[11C]-3-(3-fluorophenylsulfonyl)-8-(4-methylpiperazin-1-yl)quinolineMol. Formula:
C20H20FN3O2SM.W.:
384.46Type:
---AlogP:
2.96Polar Surface Area:
53.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA5201088
Name:
1-((3-bromophenyl)sulfonyl)-3-(difluoromethyl)-5-(piperazin-1-yl)-1H-indoleMol. Formula:
C19H18BrF2N3O2SM.W.:
470.34Type:
---AlogP:
3.99Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
---AlogP:
4.84Polar Surface Area:
48.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA5198847
Name:
1-((2-bromophenyl)sulfonyl)-3-(difluoromethyl)-4-(piperazin-1-yl)-1H-indoleMol. Formula:
C19H18BrF2N3O2SM.W.:
470.34Type:
---AlogP:
3.99Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5197660
Name:
3-(difluoromethyl)-4-(piperazin-1-yl)-1-tosyl-1H-indoleMol. Formula:
C20H21F2N3O2SM.W.:
405.47Type:
---AlogP:
3.53Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
5.48Polar Surface Area:
39.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5196479
Name:
1-((3-fluorophenyl)sulfonyl)-3-methyl-4-(piperazin-1-yl)-1H-indoleMol. Formula:
C19H20FN3O2SM.W.:
373.45Type:
---AlogP:
2.74Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
3.88Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
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