Compounds

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ALA3143383
Name:
(2S,3S)-3-[2-(4-aminophenoxy)-2-oxoethyl]-2-carboxy-3-methyl-7-oxo-4lambda~Show More⌵
Mol. Formula:
C15H16N2O7S
M.W.:
368.37
11 activity values
5 unique targets
Type:
Small molecule
AlogP:
-0.24
Polar Surface Area:
144.07
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3143371
Name:
(2S,3S)-2-carboxy-3-[2-(4-fluorophenoxy)-2-oxoethyl]-3-methyl-7-oxo-4lambdaShow More⌵
Mol. Formula:
C15H14FNO7S
M.W.:
371.34
11 activity values
5 unique targets
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
118.05
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3143370
Name:
(2S,3S)-2-carboxy-3-[2-(4-methoxyphenoxy)-2-oxoethyl]-3-methyl-7-oxo-4lambdShow More⌵
Mol. Formula:
C16H17NO8S
M.W.:
383.38
11 activity values
5 unique targets
Type:
Small molecule
AlogP:
0.19
Polar Surface Area:
127.28
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3143369
Name:
(2S,3S)-2-carboxy-3-methyl-7-oxo-3-(2-oxo-2-phenoxyethyl)-4lambda~4~-thia-1Show More⌵
Mol. Formula:
C15H15NO7S
M.W.:
353.35
11 activity values
5 unique targets
Type:
Small molecule
AlogP:
0.18
Polar Surface Area:
118.05
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3143368
Name:
(2S,3R)-2-carboxy-3-(chloromethyl)-3-methyl-7-oxo-4lambda~4~-thia-1-azabicyShow More⌵
Mol. Formula:
C8H10ClNO5S
M.W.:
267.69
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
-0.58
Polar Surface Area:
91.75
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3143365
Name:
(2S,3R)-3-(bromomethyl)-2-carboxy-3-methyl-7-oxo-4lambda~4~-thia-1-azabicycShow More⌵
Mol. Formula:
C8H10BrNO5S
M.W.:
312.14
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
-0.42
Polar Surface Area:
91.75
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3143362
Name:
(2S,3R)-2-carboxy-3-(hydroxymethyl)-3-methyl-7-oxo-4lambda~4~-thia-1-azabicShow More⌵
Mol. Formula:
C8H11NO6S
M.W.:
249.24
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
-1.82
Polar Surface Area:
111.98
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3143361
Name:
(2S,3S)-3-(2-tert-butoxy-2-oxoethyl)-2-carboxy-3-methyl-7-oxo-4lambda~4~-thShow More⌵
Mol. Formula:
C13H19NO7S
M.W.:
333.36
11 activity values
5 unique targets
Type:
Small molecule
AlogP:
-0.08
Polar Surface Area:
118.05
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE