ALA5203398Name:
[11C]Cimbi-36-2-(4-bromo-2,5-dimethoxyphenyl)-N-(2-methoxybenzyl)ethanamineMol. Formula:
C18H22BrNO3M.W.:
379.28Type:
---AlogP:
3.81Polar Surface Area:
39.72HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
---AlogP:
0.97Polar Surface Area:
36.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
UnknownAlogP:
3.30Polar Surface Area:
74.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
UnknownAlogP:
3.52Polar Surface Area:
74.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA4800666Name:
(-)-(2-(5-Ethoxybenzofuran-4-yl)cyclopropyl)methanamine HydrochlorideMol. Formula:
C14H18ClNO2M.W.:
267.76Type:
UnknownAlogP:
2.89Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS-
Type:
UnknownAlogP:
3.36Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
3.85Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4795756
Name:
2-ethyl-3-phenyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepineMol. Formula:
C15H19N3M.W.:
241.34Type:
UnknownAlogP:
2.26Polar Surface Area:
29.85HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA4790992
Name:
(+)-(2-(5-(Allyloxy)benzofuran-4-yl)cyclopropyl)-methanamine HydrochlorideMol. Formula:
C15H18ClNO2M.W.:
279.77Type:
UnknownAlogP:
3.06Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
UnknownAlogP:
2.08Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4790145
Name:
N-(2-(2-(Cyclopropylmethyl)-6-methoxyquinazolin-4-yl)ethyl)acetamideMol. Formula:
C16H19N3O2M.W.:
285.35Type:
UnknownAlogP:
2.19Polar Surface Area:
64.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
2.08Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
3.07Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
3.85Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4786831
Name:
(-)-(2-(5-Isopropoxybenzofuran-4-yl)cyclopropyl)-methanamine HydrochlorideMol. Formula:
C15H20ClNO2M.W.:
281.78Type:
UnknownAlogP:
3.28Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4784424
Name:
2-tert-butyl-3-phenyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepineMol. Formula:
C17H23N3M.W.:
269.39Type:
UnknownAlogP:
2.99Polar Surface Area:
29.85HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.86DETAILS - ALA4782824
Name:
(+)-(2-(5-Propoxybenzofuran-4-yl)cyclopropyl)-methanamine HydrochlorideMol. Formula:
C15H20ClNO2M.W.:
281.78Type:
UnknownAlogP:
3.28Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
UnknownAlogP:
2.25Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
3.62Polar Surface Area:
48.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
UnknownAlogP:
3.93Polar Surface Area:
127.75HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS
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