Compounds

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ALA526909
Name:
mathemycin B
Mol. Formula:
C77H142N2O29
M.W.:
1559.97
9 activity values
8 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA470095
Name:
Pestalachloride C
Mol. Formula:
C21H20Cl2O5
M.W.:
423.29
6 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.01
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA513378
Name:
Pestalachloride B
Mol. Formula:
C20H18Cl2O5
M.W.:
409.27
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA470091
Name:
Pestalachloride A
Mol. Formula:
C21H21Cl2NO5
M.W.:
438.31
23 activity values
13 unique targets
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
99.02
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE