Compounds

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ALA1094303
Name:
Cimicifugic acid N

Mol. Formula:
C22H22O11
M.W.:
462.41

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
1.18
Polar Surface Area:
180.05
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
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ALA1096937
Name:
Cimicifugic acid M

Mol. Formula:
C20H18O9
M.W.:
402.36

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
1.17
Polar Surface Area:
161.59
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA1097937
Name:
Cimicifugic acid L

Mol. Formula:
C22H22O10
M.W.:
446.41

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
1.48
Polar Surface Area:
159.82
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1096631
Name:
Cimicifugic acid K

Mol. Formula:
C20H18O9
M.W.:
402.36

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
1.17
Polar Surface Area:
161.59
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE