Compounds

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ALA4643682
Name:
11-Hydroxytolypodiol

Mol. Formula:
C28H40O6
M.W.:
472.62

2 activity values

1 unique targets
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5199324
Name:
Lanicepine B

Mol. Formula:
C24H34N2O8
M.W.:
478.54

2 activity values

1 unique targets
Type:
---
AlogP:
-0.71
Polar Surface Area:
156.63
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5191985
Name:
11beta,13-dihydrodesacylcynaropicrin 8-O-beta-D-gl
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Mol. Formula:
C21H30O9
M.W.:
426.46

2 activity values

1 unique targets
Type:
---
AlogP:
-1.14
Polar Surface Area:
145.91
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5191214
Name:
Lanicepine A

Mol. Formula:
C22H28N2O7
M.W.:
432.47

2 activity values

1 unique targets
Type:
---
AlogP:
-0.77
Polar Surface Area:
150.39
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5172465
Name:
11beta,13-dihydrodesacylcynaropicrin

Mol. Formula:
C15H20O4
M.W.:
264.32

2 activity values

1 unique targets
Type:
---
AlogP:
1.04
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE