Compounds

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ALA1908234
Name:
1,2-Dichloroethylene
Mol. Formula:
C5H7Cl3
M.W.:
173.47
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1908233
Name:
Diallylsulfone
Mol. Formula:
C6H10O2S
M.W.:
146.21
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.77
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
3,3-Dimethyl-1-butyne
Name:
tert-Butyl Acetylene (tBA)
Mol. Formula:
C6H10
M.W.:
82.15
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.67
Polar Surface Area:
0.00
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.39
DETAILS
CLOSE
tert-Butyl isothiocyanate
Name:
tert-Butyl isothiocyanate (tBITC)
Mol. Formula:
C5H9NS
M.W.:
115.20
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
12.36
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.35
DETAILS
CLOSE