Type:
Small moleculeAlogP:
3.95Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA2229712Name:
1-[(3S)-3-(4-Methoxyphenyl)heptyl]-1H-1,2,4-triazoleMol. Formula:
C16H23N3OM.W.:
273.38Type:
Small moleculeAlogP:
3.65Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA2229711Name:
1-[(3R)-3-(4-Methoxyphenyl)heptyl]-1H-1,2,4-triazoleMol. Formula:
C16H23N3OM.W.:
273.38Type:
Small moleculeAlogP:
3.65Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA2228883Name:
1-[(3S)-3-(4-Chlorophenyl)heptyl]-1H-1,2,4-triazoleMol. Formula:
C15H20ClN3M.W.:
277.80Type:
Small moleculeAlogP:
4.30Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS- ALA2228882
Name:
1-[(3R)-3-(4-Chlorophenyl)heptyl]-1H-1,2,4-triazoleMol. Formula:
C15H20ClN3M.W.:
277.80Type:
Small moleculeAlogP:
4.30Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2228881
Name:
1-[(3S)-3-(4-Fluorophenyl)heptyl]-1H-1,2,4-triazoleMol. Formula:
C15H20FN3M.W.:
261.34Type:
Small moleculeAlogP:
3.78Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2228880
Name:
1-[(3R)-3-(4-Fluorophenyl)heptyl]-1H-1,2,4-triazoleMol. Formula:
C15H20FN3M.W.:
261.34Type:
Small moleculeAlogP:
3.78Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2228877
Name:
1-[(3S)-3-(4-Methoxyphenyl)hexyl]-1H-1,2,4-triazoleMol. Formula:
C15H21N3OM.W.:
259.35Type:
Small moleculeAlogP:
3.26Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2228876
Name:
1-[(3R)-3-(4-Methoxyphenyl)hexyl]-1H-1,2,4-triazoleMol. Formula:
C15H21N3OM.W.:
259.35Type:
Small moleculeAlogP:
3.26Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2228875
Name:
1-[(3S)-3-(4-Fluorophenyl)hexyl]-1H-1,2,4-triazoleMol. Formula:
C14H18FN3M.W.:
247.32Type:
Small moleculeAlogP:
3.39Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA2228874
Name:
1-[(3R)-3-(4-Fluorophenyl)hexyl]-1H-1,2,4-triazoleMol. Formula:
C14H18FN3M.W.:
247.32Type:
Small moleculeAlogP:
3.39Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2228871
Name:
1-[(3S)-3-(4-Methoxyphenyl)pentyl]-1H-1,2,4-triazoleMol. Formula:
C14H19N3OM.W.:
245.33Type:
Small moleculeAlogP:
2.87Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA2228870
Name:
1-[(3R)-3-(4-Methoxyphenyl)pentyl]-1H-1,2,4-triazoleMol. Formula:
C14H19N3OM.W.:
245.33Type:
Small moleculeAlogP:
2.87Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA2228869
Name:
1-[(3S)-3-(4-Chlorophenyl)pentyl]-1H-1,2,4-triazoleMol. Formula:
C13H16ClN3M.W.:
249.75Type:
Small moleculeAlogP:
3.52Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2228868
Name:
1-[(3R)-3-(4-Chlorophenyl)pentyl]-1H-1,2,4-triazoleMol. Formula:
C13H16ClN3M.W.:
249.75Type:
Small moleculeAlogP:
3.52Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS
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