ALA5197110Name:
4-((7,8-dimethoxyisochroman-4-ylidene)amino)-1-(propylamino)butan-2-olMol. Formula:
C18H28N2O4M.W.:
336.43Type:
---AlogP:
1.77Polar Surface Area:
72.31HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA4217848Name:
4'-O-Methylhigenamine 2,2,2-trifluoroacetic acidMol. Formula:
C19H20F3NO5M.W.:
399.37Type:
Small moleculeAlogP:
2.54Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
Small moleculeAlogP:
-0.29Polar Surface Area:
151.87HBA:
9HBD:
7#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA4215209Name:
7-O-methylhigenamine 2,2,2-trifluoroacetic acidMol. Formula:
C19H20F3NO5M.W.:
399.37Type:
Small moleculeAlogP:
2.54Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA4214986Name:
6-O-methylhigenamine 2,2,2-trifluoroacetic acidMol. Formula:
C19H20F3NO5M.W.:
399.37Type:
Small moleculeAlogP:
2.54Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS-
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
63.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4208096
Name:
6,7-Di-O-methylhigenamine 2,2,2-trifluoroacetic acidMol. Formula:
C20H22F3NO5M.W.:
413.39Type:
Small moleculeAlogP:
2.84Polar Surface Area:
50.72HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
-0.29Polar Surface Area:
151.87HBA:
9HBD:
7#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
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