ALA4593363Name:
N2-(2-Anilino-2-oxoethyl)-N2-octyl-N1-phenylglycinamideMol. Formula:
C24H33N3O2M.W.:
395.55Type:
UnknownAlogP:
4.93Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
UnknownAlogP:
3.91Polar Surface Area:
69.30HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA4578979Name:
N3-(3-Anilino-3-oxopropyl)-N3-hexyl-N1-phenyl-beta-alaninamideMol. Formula:
C24H33N3O2M.W.:
395.55Type:
UnknownAlogP:
4.93Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA4573813Name:
N3-(3-Anilino-3-oxopropyl)-N3-methyl-N1-phenyl-beta-alaninamideMol. Formula:
C19H23N3O2M.W.:
325.41Type:
UnknownAlogP:
2.98Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4571084Name:
N3-[3-(Cyclopropylamino)-3-oxopropyl]-N3-octyl-N1-phenyl-beta-alaninamideMol. Formula:
C23H37N3O2M.W.:
387.57Type:
UnknownAlogP:
4.35Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
UnknownAlogP:
5.41Polar Surface Area:
81.75HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4569917
Name:
N3-(3-Anilino-3-oxopropyl)-N1-(4-fluorophenyl)-N3-octyl-beta-alaninamideMol. Formula:
C26H36FN3O2M.W.:
441.59Type:
UnknownAlogP:
5.85Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4563694
Name:
2,2'-(Octylimino)bis(N-methyl-N-phenylethanesulfonamide)Mol. Formula:
C26H41N3O4S2M.W.:
523.77Type:
UnknownAlogP:
4.58Polar Surface Area:
78.00HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4562782
Name:
N3-(3-Anilino-3-oxopropyl)-N1-(4-methoxyphenyl)-N3-octyl-beta-alaninamideMol. Formula:
C27H39N3O3M.W.:
453.63Type:
UnknownAlogP:
5.72Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
4.48Polar Surface Area:
69.30HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
3.40Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA4556355
Name:
N-cyclohexyl-3-((3-(methylamino)-3-oxopropyl)(octyl)amino)propanamideMol. Formula:
C21H41N3O2M.W.:
367.58Type:
UnknownAlogP:
3.62Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
2.13Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4548992
Name:
N3-(3-Anilino-3-oxopropyl)-N1-(2-fluorophenyl)-N3-octyl-beta-alaninamideMol. Formula:
C26H36FN3O2M.W.:
441.59Type:
UnknownAlogP:
5.85Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4545983
Name:
N3-[3-(Methylamino)-3-oxopropyl]-N3-octyl-N1-phenyl-beta-alaninamideMol. Formula:
C21H35N3O2M.W.:
361.53Type:
UnknownAlogP:
3.81Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
5.73Polar Surface Area:
52.65HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
6.73Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
5.76Polar Surface Area:
43.86HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4528564
Name:
N3-[2-(Anilinosulphonyl)ethyl]-N3-octyl-N1-phenyl-beta-alaninamideMol. Formula:
C25H37N3O3SM.W.:
459.66Type:
UnknownAlogP:
5.12Polar Surface Area:
78.51HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4526599
Name:
N3-(2-Anilino-2-oxoethyl)-N3-octyl-N1-phenyl-beta-alaninamideMol. Formula:
C25H35N3O2M.W.:
409.57Type:
UnknownAlogP:
5.32Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.42DETAILS
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