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ALA2269941 Name:
glaucorobolone glucoside
Mol. Formula:
C25H34O14
M.W.:
558.53
Type:
Small molecule
AlogP:
-4.31
Polar Surface Area:
232.90
HBA:
14
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA2269940 Name:
Argentone
Mol. Formula:
C16H22O2
M.W.:
246.35
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2269939 Name:
Incanilin
Mol. Formula:
C30H48O4
M.W.:
472.71
Type:
Small molecule
AlogP:
5.98
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2269938 Name:
Argentatin B
Mol. Formula:
C28H44O3
M.W.:
428.66
Type:
Small molecule
AlogP:
5.92
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2269937 Name:
Guayulin B
Mol. Formula:
C23H30O3
M.W.:
354.49
Type:
Small molecule
AlogP:
5.57
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2269936 Name:
Partheniol
Mol. Formula:
C15H24O
M.W.:
220.36
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
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