Compounds

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ALA4095160
Name:
S-2-(diethoxyphosphoryl)-5-phenylpentyl ethanethioate
Mol. Formula:
C17H27O4PS
M.W.:
358.44
11 activity values
6 unique targets
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
52.60
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4088285
Name:
S-(5-phenyl-2-(1H-tetrazol-5-yl)pentyl)ethanethioate
Mol. Formula:
C14H18N4OS
M.W.:
290.39
6 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4081245
Name:
S-2-(diethoxyphosphoryl)-6-phenylhexyl ethanethioate
Mol. Formula:
C18H29O4PS
M.W.:
372.47
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.31
Polar Surface Area:
52.60
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4077556
Name:
S-2-(diethoxyphosphoryl)-4-phenylbutyl ethanethioate
Mol. Formula:
C16H25O4PS
M.W.:
344.41
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
52.60
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4064978
Name:
S-(3-phenyl-2-(1H-tetrazol-5-yl)propyl)ethanethioate
Mol. Formula:
C12H14N4OS
M.W.:
262.34
6 activity values
3 unique targets
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE