ALA396013Name:
(S)2-[1-(Biphenyl-2-yloxy)-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.12Polar Surface Area:
33.62HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS
ALA242265Name:
(R)2-[1-(Biphenyl-2-yloxy)-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.12Polar Surface Area:
33.62HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS
ALA147569Name:
N-(12-Guanidino-dodecyl)-N-(1-phenethyl-piperidin-4-yl)-propionamideMol. Formula:
C29H51N5OM.W.:
485.76Type:
Small moleculeAlogP:
5.32Polar Surface Area:
85.45HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.15DETAILS
ALA146997Name:
N-(8-Guanidino-octyl)-N-(1-phenethyl-piperidin-4-yl)-propionamideMol. Formula:
C25H43N5OM.W.:
429.65Type:
Small moleculeAlogP:
3.76Polar Surface Area:
85.45HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA147044Name:
N-(6-Guanidino-hexyl)-N-(1-phenethyl-piperidin-4-yl)-propionamideMol. Formula:
C23H39N5OM.W.:
401.60Type:
Small moleculeAlogP:
2.98Polar Surface Area:
85.45HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.29DETAILS- ALA147949
Name:
N-(3-Guanidino-propyl)-N-(1-phenethyl-piperidin-4-yl)-propionamideMol. Formula:
C20H33N5OM.W.:
359.52Type:
Small moleculeAlogP:
1.60Polar Surface Area:
87.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA358089
Name:
N-(2-Guanidino-ethyl)-N-(1-phenethyl-piperidin-4-yl)-propionamideMol. Formula:
C19H31N5OM.W.:
345.49Type:
Small moleculeAlogP:
1.42Polar Surface Area:
85.45HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA131222
Name:
2-[1-(2-Benzyl-phenoxy)-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C18H20N2OM.W.:
280.37Type:
Small moleculeAlogP:
3.05Polar Surface Area:
33.62HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA131775
Name:
2-[1-(Biphenyl-3-yloxy)-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.12Polar Surface Area:
33.62HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA337945
Name:
2-[1-(Biphenyl-4-yloxy)-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.12Polar Surface Area:
33.62HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA128168
Name:
2-[1-(Biphenyl-2-yloxy)-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.12Polar Surface Area:
33.62HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA130884
Name:
Biphenyl-2-yl-[1-(4,5-dihydro-1H-imidazol-2-yl)-ethyl]-amineMol. Formula:
C17H19N3M.W.:
265.36Type:
Small moleculeAlogP:
3.16Polar Surface Area:
36.42HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA98100
Name:
4-(2-Chloro-phenyl)-1-methyl-1,2,3,6-tetrahydro-pyridineMol. Formula:
C12H14ClNM.W.:
207.70Type:
Small moleculeAlogP:
3.06Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA98579
Name:
3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-propionic acidMol. Formula:
C9H15NO2M.W.:
169.22Type:
Small moleculeAlogP:
1.11Polar Surface Area:
40.54HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.64DETAILS - ALA98048
Name:
4-(3-Bromo-phenyl)-1-methyl-1,2,3,6-tetrahydro-pyridineMol. Formula:
C12H14BrNM.W.:
252.16Type:
Small moleculeAlogP:
3.17Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA98104
Name:
4-(2,6-Dimethyl-phenyl)-1-methyl-1,2,3,6-tetrahydro-pyridineMol. Formula:
C14H19NM.W.:
201.31Type:
Small moleculeAlogP:
3.02Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.77Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.46DETAILS - ALA99320
Name:
4-(2-Fluoro-phenyl)-1-methyl-1,2,3,6-tetrahydro-pyridineMol. Formula:
C12H14FNM.W.:
191.25Type:
Small moleculeAlogP:
2.54Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
1.66Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.48DETAILS
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