Compounds

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ALA2288056
Name:
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-(4-(meth
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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
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ALA2288054
Name:
2-chloro-N-(2-methoxyethyl)-N-(1-(2-methoxyphenyl)
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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
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ALA2288044
Name:
(E/Z)-2-chloro-N-(2-methoxyethyl)-N-(1-phenylprop-
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Cas Number:
104798-64-3

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-pheny
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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
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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