Type:
---AlogP:
-1.14Polar Surface Area:
123.48HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
2.43Polar Surface Area:
52.49HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4798237Name:
4-((3,5-dihydroxyphenylamino)methyl)benzene-1,2-diolMol. Formula:
C13H13NO4M.W.:
247.25Type:
UnknownAlogP:
2.12Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4794775Name:
4-((2-(1H-imidazol-4-yl)ethylamino)methyl)benzene-1,2-diolMol. Formula:
C12H15N3O2M.W.:
233.27Type:
UnknownAlogP:
1.15Polar Surface Area:
81.17HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
UnknownAlogP:
2.39Polar Surface Area:
52.49HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS-
Type:
UnknownAlogP:
0.54Polar Surface Area:
78.51HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
2.71Polar Surface Area:
52.49HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
0.68Polar Surface Area:
105.09HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
1.86Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.61DETAILS - ALA4781582
Name:
4-((4-methoxybenzylamino)methyl)benzene-1,2-diolMol. Formula:
C15H17NO3M.W.:
259.31Type:
UnknownAlogP:
2.40Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4780884
Name:
4-((3-chlorobenzylamino)methyl)benzene-1,2-diolMol. Formula:
C14H14ClNO2M.W.:
263.72Type:
UnknownAlogP:
3.04Polar Surface Area:
52.49HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4764741
Name:
4-((3-methoxyphenylamino)methyl)benzene-1,2-diolMol. Formula:
C14H15NO3M.W.:
245.28Type:
UnknownAlogP:
2.72Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4761488
Name:
4-((2-morpholinoethylamino)methyl)benzene-1,2-diolMol. Formula:
C13H20N2O3M.W.:
252.31Type:
UnknownAlogP:
0.52Polar Surface Area:
64.96HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4757794
Name:
4-((4-methoxyphenylamino)methyl)benzene-1,2-diolMol. Formula:
C14H15NO3M.W.:
245.28Type:
UnknownAlogP:
2.72Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
1.42Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.52DETAILS - ALA4756480
Name:
5-(3,4-dihydroxybenzylamino)-2-hydroxybenzoic acidMol. Formula:
C14H13NO5M.W.:
275.26Type:
UnknownAlogP:
2.11Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
2.12Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
0.68Polar Surface Area:
66.48HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4750334
Name:
4-((3-methoxybenzylamino)methyl)benzene-1,2-diolMol. Formula:
C15H17NO3M.W.:
259.31Type:
UnknownAlogP:
2.40Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4748612
Name:
4-((3,5-dichlorobenzylamino)methyl)benzene-1,2-diolMol. Formula:
C14H13Cl2NO2M.W.:
298.17Type:
UnknownAlogP:
3.69Polar Surface Area:
52.49HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS
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