Type:
---AlogP:
1.80Polar Surface Area:
37.81HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.72DETAILS
Type:
UnknownAlogP:
1.67Polar Surface Area:
24.92HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
1.67Polar Surface Area:
24.92HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
2.23Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA4571320Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(phenyl)nicotinamideMol. Formula:
C17H18N4OM.W.:
294.36Type:
UnknownAlogP:
1.88Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS- ALA4565381
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(3-fluorophenyl)nicotinamideMol. Formula:
C17H17FN4OM.W.:
312.35Type:
UnknownAlogP:
2.02Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4556523
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(2,4-difluorophenyl)nicotinamideMol. Formula:
C17H16F2N4OM.W.:
330.34Type:
UnknownAlogP:
2.16Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
1.83Polar Surface Area:
48.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4532589
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(3-methoxyphenyl)nicotinamideMol. Formula:
C18H20N4O2M.W.:
324.38Type:
UnknownAlogP:
1.89Polar Surface Area:
66.49HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4530364
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(3,5-dimethoxyphenyl)nicotinamideMol. Formula:
C19H22N4O3M.W.:
354.41Type:
UnknownAlogP:
1.90Polar Surface Area:
75.72HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4519738
Name:
N-((3R)-2-(pyridin-3-ylmethyl)quinuclidin-3-yl)benzofuran-2-carboxamideMol. Formula:
C22H23N3O2M.W.:
361.45Type:
UnknownAlogP:
3.26Polar Surface Area:
58.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4476500
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(3-ethylphenyl)nicotinamideMol. Formula:
C19H22N4OM.W.:
322.41Type:
UnknownAlogP:
2.45Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4472986
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(benzyl)nicotinamideMol. Formula:
C18H20N4OM.W.:
308.38Type:
UnknownAlogP:
1.56Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4462607
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(3,4-dimethoxyphenyl)nicotinamideMol. Formula:
C19H22N4O3M.W.:
354.41Type:
UnknownAlogP:
1.90Polar Surface Area:
75.72HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4460815
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(4-fluorophenyl)nicotinamideMol. Formula:
C17H17FN4OM.W.:
312.35Type:
UnknownAlogP:
2.02Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4453342
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(2-fluorophenyl)nicotinamideMol. Formula:
C17H17FN4OM.W.:
312.35Type:
UnknownAlogP:
2.02Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4447564
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(4-chlorophenyl)nicotinamideMol. Formula:
C17H17ClN4OM.W.:
328.80Type:
UnknownAlogP:
2.54Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
1.61Polar Surface Area:
75.72HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA4441630
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(3-chlorophenyl)nicotinamideMol. Formula:
C17H17ClN4OM.W.:
328.80Type:
UnknownAlogP:
2.54Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4435435
Name:
5-(3,6-Diazabicyclo[3.1.1]heptane-3-yl)-N-(4-iodophenyl)nicotinamideMol. Formula:
C17H17IN4OM.W.:
420.25Type:
UnknownAlogP:
2.49Polar Surface Area:
57.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
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