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ALA585151 Name:
Lycogarubic acid methyl ester
Mol. Formula:
C23H17N3O4
M.W.:
399.41
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
110.97
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA583884 Name:
Lyoniside
Mol. Formula:
C27H36O12
M.W.:
552.57
Type:
Small molecule
AlogP:
0.50
Polar Surface Area:
176.76
HBA:
12
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA572017 Name:
2''-epifraxamoside
Mol. Formula:
C24H28O13
M.W.:
524.48
Type:
Small molecule
AlogP:
-0.19
Polar Surface Area:
201.67
HBA:
12
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA565404 Name:
Lindbladione
Mol. Formula:
C16H14O6
M.W.:
302.28
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
111.90
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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