Type:
---AlogP:
5.54Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA5285512Name:
6-methoxy-1-(1-methylindol-3-yl)-9H-pyrido[3,4-b]indoleMol. Formula:
C21H17N3OM.W.:
327.39Type:
---AlogP:
4.88Polar Surface Area:
42.84HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
4.57Polar Surface Area:
64.70HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
UnknownAlogP:
2.99Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.92DETAILS
ALA5093969Name:
N-[(5-chloro-8-quinolyl)methyl]-2-[(3R)-tetrahydrofuran-3-yl]ethanamineMol. Formula:
C16H19ClN2OM.W.:
290.79Type:
UnknownAlogP:
3.40Polar Surface Area:
34.15HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS-
Type:
UnknownAlogP:
3.27Polar Surface Area:
66.01HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.44Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
2.90Polar Surface Area:
41.93HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA5092524
Name:
2-[(5-fluoro-8-quinolyl)methylamino]-N,N-dimethyl-ethanesulfonamideMol. Formula:
C14H18FN3O2SM.W.:
311.38Type:
UnknownAlogP:
1.35Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA5091270
Name:
N-[[(3S)-1,1-dioxothian-3-yl]methyl]-1-(8-quinolyl)methanamineMol. Formula:
C16H20N2O2SM.W.:
304.42Type:
UnknownAlogP:
2.15Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA5090584
Name:
N,N-dimethyl-2-(8-quinolylmethylamino)ethanesulfonamideMol. Formula:
C14H19N3O2SM.W.:
293.39Type:
UnknownAlogP:
1.22Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5089996
Name:
(4S)-4-[[(5-chloro-8-quinolyl)methylamino]methyl]-1-methyl-piperidin-2-oneMol. Formula:
C17H20ClN3OM.W.:
317.82Type:
UnknownAlogP:
2.85Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA5087602
Name:
1-(5-bromo-8-quinolyl)-N-[(1-methylsulfonylcyclopropyl)methyl]methanamineMol. Formula:
C15H17BrN2O2SM.W.:
369.28Type:
UnknownAlogP:
2.66Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA5087322
Name:
N2-[(2-imidazol-1-ylphenyl)methyl]-N4,N4,5-trimethyl-pyrimidine-2,4-diamineMol. Formula:
C17H20N6M.W.:
308.39Type:
UnknownAlogP:
2.65Polar Surface Area:
58.87HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA5085238
Name:
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(8-quinolyl)methanamineMol. Formula:
C15H18N2O2SM.W.:
290.39Type:
UnknownAlogP:
1.76Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA5082151
Name:
2-[(5-chloro-8-quinolyl)methylamino]-N,N-dimethyl-ethanesulfonamideMol. Formula:
C14H18ClN3O2SM.W.:
327.84Type:
UnknownAlogP:
1.87Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA5079273
Name:
N-[(5-chloro-8-quinolyl)methyl]-2-(3-pyridyl)ethanamineMol. Formula:
C17H16ClN3M.W.:
297.79Type:
UnknownAlogP:
3.62Polar Surface Area:
37.81HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5075486
Name:
1-(5-chloro-8-quinolyl)-N-[[(3S)-1,1-dioxothian-3-yl]methyl]methanamineMol. Formula:
C16H19ClN2O2SM.W.:
338.86Type:
UnknownAlogP:
2.80Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.93DETAILS -
Type:
UnknownAlogP:
3.34Polar Surface Area:
51.97HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.87Polar Surface Area:
84.71HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS
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