Compounds

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ALA456518
Name:
vouacapane-6alpha,7beta,17beta,19-tetraol
Mol. Formula:
C20H30O5
M.W.:
350.46
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
94.06
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA462756
Name:
vouacapane-6alpha,7beta,17beta-triol
Mol. Formula:
C20H30O4
M.W.:
334.46
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
73.83
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA462755
Name:
6alpha-hydroxyvouacapano-7beat,17beta-lactone
Mol. Formula:
C20H26O4
M.W.:
330.42
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA517445
Name:
6alpha,7beta-dihydroxyvouacapan-17beta-oic acid
Mol. Formula:
C20H28O5
M.W.:
348.44
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
90.90
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE