ALA5208688Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5,6-dimethyl-benzimidazoleMol. Formula:
C30H36N4M.W.:
452.65Type:
---AlogP:
5.84Polar Surface Area:
24.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA5208657Name:
1-benzhydryl-4-[4-(5-methyltetrazol-1-yl)butyl]piperazineMol. Formula:
C23H30N6M.W.:
390.54Type:
---AlogP:
3.17Polar Surface Area:
50.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA5208637Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-2-phenyl-benzimidazoleMol. Formula:
C34H36N4M.W.:
500.69Type:
---AlogP:
6.89Polar Surface Area:
24.30HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS
ALA5207905Name:
3-[4-(4-benzhydrylpiperazin-1-yl)but-2-ynyl]-1H-benzimidazol-2-oneMol. Formula:
C28H28N4OM.W.:
436.56Type:
---AlogP:
3.74Polar Surface Area:
44.27HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5207673Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-7-methoxy-indoleMol. Formula:
C30H35N3OM.W.:
453.63Type:
---AlogP:
5.84Polar Surface Area:
20.64HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS- ALA5207374
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-6-methyl-indoleMol. Formula:
C30H35N3M.W.:
437.63Type:
---AlogP:
6.14Polar Surface Area:
11.41HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5204877
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]pyrrolo[3,2-b]pyridineMol. Formula:
C28H32N4M.W.:
424.59Type:
---AlogP:
5.22Polar Surface Area:
24.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
2.60Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA5204700
Name:
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-oneMol. Formula:
C22H28N4OM.W.:
364.49Type:
---AlogP:
2.58Polar Surface Area:
44.27HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA5202834
Name:
1-benzhydryl-4-[4-(2-methylimidazol-1-yl)butyl]piperazineMol. Formula:
C25H32N4M.W.:
388.56Type:
---AlogP:
4.38Polar Surface Area:
24.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
1.87Polar Surface Area:
78.41HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5201970
Name:
3-[3-(4-benzoylpiperazin-1-yl)propyl]-1H-benzimidazol-2-oneMol. Formula:
C21H24N4O2M.W.:
364.45Type:
---AlogP:
2.18Polar Surface Area:
61.34HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5201862
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5-fluoro-indoleMol. Formula:
C29H32FN3M.W.:
441.59Type:
---AlogP:
5.97Polar Surface Area:
11.41HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
4.23Polar Surface Area:
44.27HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5200700
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]pyrrolo[2,3-b]pyridineMol. Formula:
C28H32N4M.W.:
424.59Type:
---AlogP:
5.22Polar Surface Area:
24.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA5198192
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]benzotriazoleMol. Formula:
C27H31N5M.W.:
425.58Type:
---AlogP:
4.62Polar Surface Area:
37.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5197182
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]pyrrolo[2,3-c]pyridineMol. Formula:
C28H32N4M.W.:
424.59Type:
---AlogP:
5.22Polar Surface Area:
24.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA5197076
Name:
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5-methoxy-indoleMol. Formula:
C30H35N3OM.W.:
453.63Type:
---AlogP:
5.84Polar Surface Area:
20.64HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
---AlogP:
5.83Polar Surface Area:
11.41HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5194571
Name:
1-benzhydryl-4-[4-(5-phenyltetrazol-1-yl)butyl]piperazineMol. Formula:
C28H32N6M.W.:
452.61Type:
---AlogP:
4.53Polar Surface Area:
50.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
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