Compounds

Select all

Thaxtomin A
Name:
Thaxtomin A
Mol. Formula:
C22H22N4O6
M.W.:
438.44
98 activity values
8 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
Thaxtomin C
Name:
Thaxtomin C
Mol. Formula:
C21H20N4O4
M.W.:
392.42
41 activity values
7 unique targets
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
108.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2270638
Name:
hydroxythaxtomin C
Mol. Formula:
C21H20N4O5
M.W.:
408.41
24 activity values
5 unique targets
Type:
Small molecule
AlogP:
1.51
Polar Surface Area:
128.57
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2270635
Name:
Des-N-methylthaxtomin C
Mol. Formula:
C20H18N4O4
M.W.:
378.39
24 activity values
5 unique targets
Type:
Small molecule
AlogP:
1.84
Polar Surface Area:
117.13
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA497531
Name:
2,4-Dihydro-4-(beta-D-ribofuranosy)-1,2,4(3H)-triazol-3-one
Mol. Formula:
C7H11N3O5
M.W.:
217.18
73 activity values
10 unique targets
Type:
Small molecule
AlogP:
-2.82
Polar Surface Area:
120.60
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE