Compounds

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ALA123481
Name:
Trifluoro-methanesulfonate1-[(E)-3-((2S,3S,5R)-2-carboxy-3-methyl-4,4,7-triShow More⌵
Mol. Formula:
C16H17F3N2O8S2
M.W.:
486.45
21 activity values
13 unique targets
Type:
Small molecule
AlogP:
-0.27
Polar Surface Area:
95.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA122209
Name:
(2S,3S,5R)-3-((Z)-2-Ethoxycarbonyl-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-Show More⌵
Mol. Formula:
C12H15NO7S
M.W.:
317.32
11 activity values
8 unique targets
Type:
Small molecule
AlogP:
-0.70
Polar Surface Area:
118.05
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA121924
Name:
Sodium salt (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-((Z)-2-pyridin-2-yl-vinyl)-4Show More⌵
Mol. Formula:
C14H13N2NaO5S
M.W.:
344.32
21 activity values
13 unique targets
Type:
Small molecule
AlogP:
0.29
Polar Surface Area:
104.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA332565
Name:
Sodium salt (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-((Z)-2-thiazol-5-yl-vinyl)-4Show More⌵
Mol. Formula:
C12H11N2NaO5S2
M.W.:
350.35
21 activity values
13 unique targets
Type:
Small molecule
AlogP:
0.35
Polar Surface Area:
104.64
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA333330
Name:
(2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-5-yl-vinyl)-4lambda*6*-thShow More⌵
Mol. Formula:
C12H12N2O5S2
M.W.:
328.37
21 activity values
13 unique targets
Type:
Small molecule
AlogP:
0.35
Polar Surface Area:
104.64
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE