Compounds

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ALA2401838
Name:
2-((((S)-3-acetamido-3-carboxylatopropyl)oxidophosphoryl)methyl)pentanedioaShow More⌵
Mol. Formula:
C12H20NO9P
M.W.:
353.26
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.20
Polar Surface Area:
178.30
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
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ALA2401837
Name:
2-(((1-acetamido-3-carboxylatopropyl)oxidophosphoryl)methyl)pentanedioate
Mol. Formula:
C12H20NO9P
M.W.:
353.26
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.15
Polar Surface Area:
178.30
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2401836
Name:
2-((((S)-3-acetamido-4-(ethylamino)-4-oxobutyl)oxidophosphoryl)methyl)pentaShow More⌵
Mol. Formula:
C14H25N2O8P
M.W.:
380.33
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.15
Polar Surface Area:
170.10
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA496637
Name:
8alpha,15(S)-dihydroxylabd-13(14),17-dien-23,6alpha-16(S),19-diolide
Mol. Formula:
C25H36O6
M.W.:
432.56
27 activity values
20 unique targets
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA496239
Name:
8alpha,15(S)-dihydroxy-23,6alpha-epoxy-labd-13(14),17-dien-16(S),19-olide
Mol. Formula:
C25H38O5
M.W.:
418.57
5 activity values
5 unique targets
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE