Compounds

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ALA2334361
Name:
3-(1H-imidazol-1-yl)propan-1-aminium 3-(1H-imidazol-1-yl)propylcarbamodithiShow More⌵
Mol. Formula:
C13H22N6S2
M.W.:
326.50
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
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ALA2334360
Name:
triethylammonium thiophen-2-ylcarbamodithioate
Mol. Formula:
C11H20N2S3
M.W.:
276.50

Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
12.03
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.50
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ALA2334359
Name:
tripotassium{bis[2-(carbodithioatoamino)ethyl]amino}methyldithiocarbamate
Mol. Formula:
C8H13K3N4S6
M.W.:
474.92
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.66
Polar Surface Area:
39.33
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
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ALA2334358
Name:
sodium 4-(4-cyanophenyl)piperidine-1-carbodithioate
Mol. Formula:
C13H13N2NaS2
M.W.:
284.38
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
27.03
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.62
DETAILS
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