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ALA4524108 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-furan-2-yl-methanol
Mol. Formula:
C12H17NO2
M.W.:
207.27
Type:
Unknown
AlogP:
1.80
Polar Surface Area:
36.61
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA4524107 Name:
1-(1-Aza-bicyclo[2.2.2]oct-2-yl)-2,2-dimethyl-prop
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Mol. Formula:
C12H23NO
M.W.:
197.32
Type:
Unknown
AlogP:
1.88
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.69
DETAILS
CLOSE
ALA4524106 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-p-tolyl-methanol
Mol. Formula:
C15H21NO
M.W.:
231.34
Type:
Unknown
AlogP:
2.51
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
ALA4524105 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-(4-chloro-phenyl)-m
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Mol. Formula:
C14H18ClNO
M.W.:
251.76
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.87
DETAILS
CLOSE
ALA4524104 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-pyridin-4-yl-methan
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Mol. Formula:
C13H18N2O
M.W.:
218.30
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
36.36
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.82
DETAILS
CLOSE
ALA4524103 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-(1-methyl-1H-imidaz
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Mol. Formula:
C12H19N3O
M.W.:
221.30
Type:
Unknown
AlogP:
0.94
Polar Surface Area:
41.29
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4524102 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-thiazol-2-yl-methan
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Mol. Formula:
C11H16N2OS
M.W.:
224.33
Type:
Unknown
AlogP:
1.66
Polar Surface Area:
36.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4524101 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-phenyl-methanol
Mol. Formula:
C14H19NO
M.W.:
217.31
Type:
Unknown
AlogP:
2.20
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.82
DETAILS
CLOSE
ALA4524061 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-(5-bromo-2-methoxy-
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Mol. Formula:
C22H26BrNO3
M.W.:
432.36
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
41.93
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4524060 Name:
(1-Aza-bicyclo[2.2.2]oct-2-yl)-(5-bromo-2-methoxy-
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Mol. Formula:
C22H26BrNO3
M.W.:
432.36
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
41.93
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4217308 Name:
4-(3',5'-Dichloro-4'-hydroxy-3-biphenyl)-5-phenyli
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Mol. Formula:
C22H13Cl2NO4
M.W.:
426.26
Type:
Small molecule
AlogP:
6.39
Polar Surface Area:
83.56
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4214022 Name:
4-(3',5'-Dichloro-4'-hydroxy-3-biphenyl)-5-methyli
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Mol. Formula:
C17H11Cl2NO4
M.W.:
364.18
Type:
Small molecule
AlogP:
5.03
Polar Surface Area:
83.56
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4206173 Name:
4-(3',5'-Dimethyl-4'-hydroxy-3-biphenyl)-5-phenyli
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Mol. Formula:
C24H19NO4
M.W.:
385.42
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
83.56
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
108.21
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
45.59
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3707134 Name:
(4R,5S,6E)-5-[2-Amino-2-(carboxymethyl-carbamoyl)-
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Mol. Formula:
C24H44N2O6S
M.W.:
488.69
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
149.95
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3707133 Name:
(2-Amino-3-{1-[1-hydroxy-4-oxo-4-(5-oxo-tetrahydro
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Mol. Formula:
C28H48N2O7S
M.W.:
556.77
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
156.02
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA3706609 Name:
6-[2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfan
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Mol. Formula:
C27H42N2O6S
M.W.:
522.71
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
149.95
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3706608 Name:
6-[2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfan
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Mol. Formula:
C26H40N2O7S
M.W.:
524.68
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
159.18
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3706607 Name:
6-[2-Amino-2-(carboxymethyl-carbamoyl)-ethylsulfan
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Mol. Formula:
C27H40N2O6S
M.W.:
520.69
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
149.95
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
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