Compounds

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ALA2270639
Name:
Thaxtomin B
Mol. Formula:
C22H22N4O5
M.W.:
422.44
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.85
Polar Surface Area:
119.78
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2270637
Name:
Thaxtomin A p-isomer
Mol. Formula:
C22H22N4O6
M.W.:
438.44
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.55
Polar Surface Area:
140.01
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2270636
Name:
Hydroxythaxtomin A
Mol. Formula:
C22H22N4O7
M.W.:
454.44
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.26
Polar Surface Area:
160.24
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE