ALA4251392Name:
6-(1-(4-chlorophenylsulfonyl)piperidin-4-ylamino)nicotinonitrileMol. Formula:
C17H17ClN4O2SM.W.:
376.87Type:
Small moleculeAlogP:
2.87Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA4251289Name:
6-(1-(4-methoxyphenylsulfonyl)azepan-4-ylamino)nicotinonitrileMol. Formula:
C19H22N4O3SM.W.:
386.48Type:
Small moleculeAlogP:
2.62Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4250825Name:
6-(1-(4-hydroxyphenylsulfonyl)pyrrolidin-3-ylamino)nicotinonitrileMol. Formula:
C16H16N4O3SM.W.:
344.40Type:
Small moleculeAlogP:
1.53Polar Surface Area:
106.32HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
Small moleculeAlogP:
5.55Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4250223
Name:
2-(1-(4-methoxyphenylsulfonyl)piperidin-4-ylamino)isonicotinonitrileMol. Formula:
C18H20N4O3SM.W.:
372.45Type:
Small moleculeAlogP:
2.23Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4249961
Name:
6-(1-(4'-cyanobiphenyl-4-ylsulfonyl)piperidin-4-ylamino)nicotinonitrileMol. Formula:
C24H21N5O2SM.W.:
443.53Type:
Small moleculeAlogP:
3.76Polar Surface Area:
109.88HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
95.74HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4248984
Name:
N-(4-methoxyphenyl)-1-(4-methoxyphenylsulfonyl)piperidin-4-amineMol. Formula:
C19H24N2O4SM.W.:
376.48Type:
Small moleculeAlogP:
2.97Polar Surface Area:
67.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
115.19HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4247500
Name:
6-(1-(4-(trifluoromethyl)phenylsulfonyl)piperidin-4-ylamino)nicotinonitrileMol. Formula:
C18H17F3N4O2SM.W.:
410.42Type:
Small moleculeAlogP:
3.24Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4246994
Name:
6-(1-(4-methoxyphenylsulfonyl)piperidin-4-ylamino)picolinonitrileMol. Formula:
C18H20N4O3SM.W.:
372.45Type:
Small moleculeAlogP:
2.23Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4243992
Name:
6-(1-(3'-methylbiphenyl-4-ylsulfonyl)piperidin-4-ylamino)nicotinonitrileMol. Formula:
C24H24N4O2SM.W.:
432.55Type:
Small moleculeAlogP:
4.19Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4243675
Name:
N-(1-(4-methoxyphenylsulfonyl)piperidin-4-yl)-5-methylpyridin-2-amineMol. Formula:
C18H23N3O3SM.W.:
361.47Type:
Small moleculeAlogP:
2.66Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4240720
Name:
6-(1-(4-methoxyphenylsulfonyl)piperidin-4-ylamino)nicotinonitrileMol. Formula:
C18H20N4O3SM.W.:
372.45Type:
Small moleculeAlogP:
2.23Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS
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