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ALA5184185 Name:
[18F]-(R)-1-(2-(1-(3-(2-fluoroethoxy)phenylsulfony
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Mol. Formula:
C20H31FN2O3S
M.W.:
397.55
Type:
---
AlogP:
3.31
Polar Surface Area:
49.85
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5176380 Name:
3-ethyl-3-(4-(4-(3-(2-fluoroethoxy)phenyl)piperazi
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Mol. Formula:
C26H34FN3O2
M.W.:
439.58
Type:
---
AlogP:
4.63
Polar Surface Area:
44.81
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5175774 Name:
3-(4-(4-(3-(2-fluoroethoxy)phenyl)piperazin-1-yl)b
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Mol. Formula:
C25H32FN3O2
M.W.:
425.55
Type:
---
AlogP:
4.24
Polar Surface Area:
44.81
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4207454 Name:
1-(biphenyl-2-yl)-4-(3-methoxyphenethyl)piperazine
Mol. Formula:
C25H28N2O
M.W.:
372.51
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
15.71
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
29.85
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3640614 Name:
US8575364, 60
Mol. Formula:
C19H20F3NO2
M.W.:
351.37
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3640613 Name:
US8575364, 68
Mol. Formula:
C18H21NO2
M.W.:
283.37
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA3640612 Name:
US8575364, 67
Mol. Formula:
C18H20ClN
M.W.:
285.82
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3640611 Name:
US8575364, 66
Mol. Formula:
C17H17ClFN
M.W.:
289.78
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA3640610 Name:
US8575364, 65
Mol. Formula:
C16H15Cl2N
M.W.:
292.21
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3640609 Name:
US8575364, 63
Mol. Formula:
C18H21NO
M.W.:
267.37
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3640608 Name:
US8575364, 62
Mol. Formula:
C18H21NO
M.W.:
267.37
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3640607 Name:
US8575364, 61
Mol. Formula:
C17H19NO
M.W.:
253.34
Type:
Small molecule
AlogP:
3.44
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA3640606 Name:
US8575364, 60
Mol. Formula:
C18H21N
M.W.:
251.37
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3640605 Name:
US8575364, 59
Mol. Formula:
C17H19N
M.W.:
237.35
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3640604 Name:
US8575364, 58
Mol. Formula:
C19H23N
M.W.:
265.40
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3640603 Name:
US8575364, 57
Mol. Formula:
C18H21N
M.W.:
251.37
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA3640602 Name:
US8575364, 56
Mol. Formula:
C16H16ClN
M.W.:
257.76
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA3640601 Name:
US8575364, 55
Mol. Formula:
C18H21N
M.W.:
251.37
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3639394 Name:
US8575364, 54
Mol. Formula:
C17H19N
M.W.:
237.35
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
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