SR-18292Name:
1-((1H-Indol-4-yl)oxy)-3-(tert-butyl(4-methylbenzyl)amino)-propan-2-olMol. Formula:
C23H30N2O2M.W.:
366.51Type:
UnknownAlogP:
4.52Polar Surface Area:
48.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
2.50Polar Surface Area:
94.58HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
UnknownAlogP:
2.50Polar Surface Area:
94.58HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
UnknownAlogP:
4.89Polar Surface Area:
114.45HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
UnknownAlogP:
4.86Polar Surface Area:
85.35HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS- ALA4575660
Name:
6,7-Dihydroxy-1-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C15H15NO3M.W.:
257.29Type:
UnknownAlogP:
2.04Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4569149
Name:
6,7-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C16H17NO4M.W.:
287.31Type:
UnknownAlogP:
2.05Polar Surface Area:
81.95HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
3.74Polar Surface Area:
114.45HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
UnknownAlogP:
2.20Polar Surface Area:
105.58HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
2.20Polar Surface Area:
105.58HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.08Polar Surface Area:
114.45HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4520191
Name:
6,7-Dihydroxy-1-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C15H15NO4M.W.:
273.29Type:
UnknownAlogP:
1.74Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
2.50Polar Surface Area:
94.58HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
2.20Polar Surface Area:
105.58HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.86Polar Surface Area:
114.45HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4452408
Name:
6,7-Dihydroxy-1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C15H15NO3M.W.:
257.29Type:
UnknownAlogP:
2.04Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4446822
Name:
6,7-Dihydroxy-1-(5-hydroxymethylfuran-2-yl)-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C14H15NO4M.W.:
261.28Type:
UnknownAlogP:
1.42Polar Surface Area:
85.86HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
3.27Polar Surface Area:
85.35HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4444683
Name:
6,7-Dihydroxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C18H21NO5M.W.:
331.37Type:
UnknownAlogP:
2.36Polar Surface Area:
80.18HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
3.08Polar Surface Area:
114.45HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS
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