Compounds

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ALA4289187
Name:
N-(4-(5-((1,1-Dioxidobenzo[b]thiophen-3-yl)thio)-1,3,4-oxadiazol-2-yl)phenyShow More⌵
Mol. Formula:
C18H13N3O4S2
M.W.:
399.45
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
102.16
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4288794
Name:
3-((5-(4-Aminophenyl)-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene-1,1-dioxiShow More⌵
Mol. Formula:
C16H11N3O3S2
M.W.:
357.42
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
99.08
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4288538
Name:
3-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene-1,1-dioxShow More⌵
Mol. Formula:
C16H9ClN2O3S2
M.W.:
376.85
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
73.06
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4284098
Name:
3-((5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene-1,1-dioShow More⌵
Mol. Formula:
C17H12N2O4S2
M.W.:
372.43
26 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
82.29
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4280641
Name:
3-((5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene-1,1-dioxShow More⌵
Mol. Formula:
C16H9ClN2O3S2
M.W.:
376.85
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
73.06
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4277486
Name:
3-((5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene-1,1-dioShow More⌵
Mol. Formula:
C17H12N2O4S2
M.W.:
372.43
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
82.29
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4277233
Name:
Methyl-4-(5-((1,1-dioxidobenzo[b]thiophen-3-yl)thio)-1,3,4-oxadiazol-2-yl)bShow More⌵
Mol. Formula:
C18H12N2O5S2
M.W.:
400.44
9 activity values
8 unique targets
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
99.36
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE