Compounds

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ALA2288056
Name:
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-(4-(methylthio)phenyl)prop-1-enylShow More⌵
Mol. Formula:
C16H22ClNO2S
M.W.:
327.88
10 activity values
5 unique targets
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
29.54
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2288054
Name:
2-chloro-N-(2-methoxyethyl)-N-(1-(2-methoxyphenyl)-2-methylprop-1-enyl)acetShow More⌵
Mol. Formula:
C16H22ClNO3
M.W.:
311.81
11 activity values
5 unique targets
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
38.77
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2288044
Name:
(E/Z)-2-chloro-N-(2-methoxyethyl)-N-(1-phenylprop-1-enyl)acetamide
Mol. Formula:
C14H18ClNO2
M.W.:
267.76
10 activity values
5 unique targets
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
29.54
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2288027
Name:
2-chloro-N-(2,2-diethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
Mol. Formula:
C18H26ClNO3
M.W.:
339.86
9 activity values
5 unique targets
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
38.77
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2285952
Name:
2-(2,2,2-Trifluoroethoxy)-6-trifluoromethyl-N-(5,8-dimethoxy-1,2,4-triazoloShow More⌵
Mol. Formula:
C16H13F6N5O5S
M.W.:
501.37
5 activity values
5 unique targets
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
116.94
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE