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ALA4761527 Name:
3-[4-(2-azaspiro[3.3]heptan-6-ylmethoxy)-3-fluoro-
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Mol. Formula:
C19H21FN6O
M.W.:
368.42
Type:
Unknown
AlogP:
2.13
Polar Surface Area:
90.88
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3109924 Name:
N,N-Dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamin
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Mol. Formula:
C12H19NO2S
M.W.:
241.36
Type:
Small molecule
AlogP:
1.47
Polar Surface Area:
37.38
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3109922 Name:
tert-butyl 4-((3-(dimethylamino)propoxy)(hydroxy)p
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Mol. Formula:
C16H27N2O6P
M.W.:
374.37
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
97.33
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3109921 Name:
3-(Dimethylamino)propyl Hydrogen 4-Methylbenzylpho
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Mol. Formula:
C13H22NO3P
M.W.:
271.30
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3109920 Name:
2-(Dimethylamino)ethyl Hydrogen 4-Nitrobenzylphosp
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Mol. Formula:
C11H17N2O5P
M.W.:
288.24
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
92.91
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3109919 Name:
2-(Dimethylamino)ethyl Hydrogen 4-Methylbenzylphos
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Mol. Formula:
C12H20NO3P
M.W.:
257.27
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3109918 Name:
2-(Dimethylamino)ethyl Hydrogen 4-Bromobenzylphosp
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Mol. Formula:
C11H17BrNO3P
M.W.:
322.14
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA3109917 Name:
2-{[(4-Bromobenzyl)(hydroxy)phosphoryl]oxy}-N,N,N-
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Mol. Formula:
C12H20BrINO3P
M.W.:
464.08
Type:
Small molecule
AlogP:
2.86
Polar Surface Area:
46.53
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3109916 Name:
1-(4-Methylphenyl)-N-[2-(4-morpholinyl)ethyl]metha
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Mol. Formula:
C14H22N2O3S
M.W.:
298.41
Type:
Small molecule
AlogP:
0.75
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3109915 Name:
1-(4-Methylphenyl)-N-[2-(1-pyrrolidinyl)ethyl]meth
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Mol. Formula:
C14H22N2O2S
M.W.:
282.41
Type:
Small molecule
AlogP:
1.51
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA3109914 Name:
N-[2-(Dimethylamino)ethyl](4-methylphenyl)methanes
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Mol. Formula:
C12H20N2O2S
M.W.:
256.37
Type:
Small molecule
AlogP:
0.98
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3109913 Name:
1-(4-Fluorophenyl)-N-[2-(4-morpholinyl)ethyl]metha
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Mol. Formula:
C13H19FN2O3S
M.W.:
302.37
Type:
Small molecule
AlogP:
0.58
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3109912 Name:
1-(4-Fluorophenyl)-N-[2-(1-pyrrolidinyl)ethyl]meth
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Mol. Formula:
C13H19FN2O2S
M.W.:
286.37
Type:
Small molecule
AlogP:
1.34
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA3109911 Name:
N-[2-(Dimethylamino)ethyl](4-fluorophenyl)methanes
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Mol. Formula:
C11H17FN2O2S
M.W.:
260.33
Type:
Small molecule
AlogP:
0.81
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA3109910 Name:
1-(4-Bromophenyl)-N-[2-(4-morpholinyl)ethyl]methan
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Mol. Formula:
C13H19BrN2O3S
M.W.:
363.28
Type:
Small molecule
AlogP:
1.20
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3109909 Name:
1-(4-bromophenyl)-N-(2-(pyrrolidin-1-yl)ethyl)meth
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Mol. Formula:
C13H19BrN2O2S
M.W.:
347.28
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA3109908 Name:
1-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]methan
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Mol. Formula:
C11H17BrN2O2S
M.W.:
321.24
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA3109907 Name:
N-[2-(4-Morpholinyl)ethyl](phenyl)methanesulfonami
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Mol. Formula:
C13H20N2O3S
M.W.:
284.38
Type:
Small molecule
AlogP:
0.44
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA3109906 Name:
1-Phenyl-N-[2-(1-pyrrolidinyl)ethyl]methanesulfona
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Mol. Formula:
C13H20N2O2S
M.W.:
268.38
Type:
Small molecule
AlogP:
1.20
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3109905 Name:
1-phenyl-N-[2-(dimethylamino)ethyl]methanesulfonam
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Mol. Formula:
C11H18N2O2S
M.W.:
242.34
Type:
Small molecule
AlogP:
0.67
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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