ALA5094079Name:
5-(hex-1-ynyl)-2-(tetrahydrofuran-3-ylamino)benzamideMol. Formula:
C17H22N2O2M.W.:
286.38Type:
UnknownAlogP:
2.53Polar Surface Area:
64.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA5093787Name:
5-(3,3-dimethylbut-1-ynyl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamideMol. Formula:
C19H26N2O2M.W.:
314.43Type:
UnknownAlogP:
2.90Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA5093243Name:
5-(hex-1-ynyl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamideMol. Formula:
C19H26N2O2M.W.:
314.43Type:
UnknownAlogP:
3.04Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA5093202Name:
5-(hex-1-ynyl)-2-(1-(2-morpholinoacetyl)piperidin-4-ylamino)benzamideMol. Formula:
C24H34N4O3M.W.:
426.56Type:
UnknownAlogP:
2.06Polar Surface Area:
87.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA5092629Name:
2-(1-acetylpiperidin-3-ylamino)-5-(hex-1-ynyl)benzamideMol. Formula:
C20H27N3O2M.W.:
341.46Type:
UnknownAlogP:
2.75Polar Surface Area:
75.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS-
Type:
UnknownAlogP:
2.19Polar Surface Area:
78.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
1.41Polar Surface Area:
78.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5091405
Name:
2-(1-(2-cyclopropylacetyl)piperidin-4-ylamino)-5-(hex-1-ynyl)benzamideMol. Formula:
C23H31N3O2M.W.:
381.52Type:
UnknownAlogP:
3.53Polar Surface Area:
75.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA5090818
Name:
5-(hex-1-ynyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)benzamideMol. Formula:
C19H26N2O2M.W.:
314.43Type:
UnknownAlogP:
3.17Polar Surface Area:
64.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5090524
Name:
5-(hex-1-ynyl)-2-(1-(3-morpholinopropanoyl)piperidin-4-ylamino)benzamideMol. Formula:
C25H36N4O3M.W.:
440.59Type:
UnknownAlogP:
2.45Polar Surface Area:
87.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5090316
Name:
5-(cyclohexylethynyl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamideMol. Formula:
C21H28N2O2M.W.:
340.47Type:
UnknownAlogP:
3.43Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA5089381
Name:
5-(hex-1-ynyl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamideMol. Formula:
C18H24N2O2M.W.:
300.40Type:
UnknownAlogP:
2.92Polar Surface Area:
64.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5089184
Name:
5-(hex-1-ynyl)-2-(3-methoxypropylamino)benzamideMol. Formula:
C17H24N2O2M.W.:
288.39Type:
UnknownAlogP:
2.78Polar Surface Area:
64.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA5089044
Name:
5-(cyclopentylethynyl)-2-((1r,4r)-4-hydroxycyclohexylamino)benzamideMol. Formula:
C20H26N2O2M.W.:
326.44Type:
UnknownAlogP:
3.04Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5089014
Name:
2-(3-ethoxypropylamino)-5-(hex-1-ynyl)benzamideMol. Formula:
C18H26N2O2M.W.:
302.42Type:
UnknownAlogP:
3.17Polar Surface Area:
64.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
2.49Polar Surface Area:
67.15HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5088079
Name:
5-(hex-1-ynyl)-2-(piperidin-4-ylmethylamino)benzamideMol. Formula:
C19H27N3OM.W.:
313.45Type:
UnknownAlogP:
2.74Polar Surface Area:
67.15HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA5087889
Name:
2-((1r,4r)-4-hydroxycyclohexylamino)-5-(5-methylhex-1-ynyl)benzamideMol. Formula:
C20H28N2O2M.W.:
328.46Type:
UnknownAlogP:
3.29Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5087678
Name:
2-((1r,4r)-4-hydroxycyclohexylamino)-5-(4-methylpent-1-ynyl)benzamideMol. Formula:
C19H26N2O2M.W.:
314.43Type:
UnknownAlogP:
2.90Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5087473
Name:
2-(2-acetamidoethylamino)-5-(hex-1-ynyl)benzamideMol. Formula:
C17H23N3O2M.W.:
301.39Type:
UnknownAlogP:
1.88Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS
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