Compounds

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ALA4097551
Name:
Maceneolignan H
Mol. Formula:
C24H30O7
M.W.:
430.50
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4091275
Name:
5'-Methoxylicarin B
Mol. Formula:
C21H22O5
M.W.:
354.40
7 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
46.15
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
Myrislignan
Name:
Myrislignan
Mol. Formula:
C21H26O6
M.W.:
374.43
8 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
77.38
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4079519
Name:
Myrislignanometin E
Mol. Formula:
C21H26O7
M.W.:
390.43
9 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
97.61
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4072450
Name:
3,5-Dihydroxyestragole
Mol. Formula:
C10H12O3
M.W.:
180.20
9 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.83
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.70
DETAILS
CLOSE