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ALA4476554 Name:
2-(2-((3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)ethyl)isoindoline-1,3-Show More⌵
Mol. Formula:
C26H19NO6
M.W.:
441.44
Type:
Unknown
AlogP:
4.14
Polar Surface Area:
86.05
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4471251 Name:
7-(2-(cyclopentylamino)ethoxy)-3-(4-methoxyphenyl)-4H-chromen-4-one
Mol. Formula:
C23H25NO4
M.W.:
379.46
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
60.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4450260 Name:
7-(2-(cyclohexylamino)ethoxy)-3-(4-methoxyphenyl)-4H-chromen-4-one
Mol. Formula:
C24H27NO4
M.W.:
393.48
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
60.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4294287 Name:
N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N7-(1,2,3,4-tetraShow More⌵
Mol. Formula:
C30H45N3O4
M.W.:
511.71
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4287068 Name:
N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N4-(1,2,3,4-tetraShow More⌵
Mol. Formula:
C27H39N3O4
M.W.:
469.63
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4283717 Name:
N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N6-(1,2,3,4-tetraShow More⌵
Mol. Formula:
C29H43N3O4
M.W.:
497.68
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4280262 Name:
N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N8-(1,2,3,4-tetraShow More⌵
Mol. Formula:
C31H47N3O4
M.W.:
525.73
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4279148 Name:
N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N5-(1,2,3,4-tetraShow More⌵
Mol. Formula:
C28H41N3O4
M.W.:
483.65
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
84.87
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA448799 Name:
N-demethylhuperzinine
Mol. Formula:
C16H20N2O
M.W.:
256.35
Type:
Small molecule
AlogP:
2.11
Polar Surface Area:
44.89
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA470349 Name:
Huperzinine
Mol. Formula:
C17H22N2O
M.W.:
270.38
Type:
Small molecule
AlogP:
2.46
Polar Surface Area:
36.10
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.84
DETAILS
CLOSE
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