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ALA4483522 Name:
N-(6-(2-Chloro-6-methylphenyl)-7-oxo-6,7-dihydroth
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Mol. Formula:
C20H15ClN4O2S
M.W.:
410.89
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
76.88
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4476307 Name:
4-(5-(2-Chlorophenyl)-4-methyl-2-propionylthiophen
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Mol. Formula:
C20H18ClNO3S2
M.W.:
419.96
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
77.23
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4475776 Name:
(R)-7-Methyl-N-(quinuclidin-3-yl)pyrrolo[1,2-a]qui
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Mol. Formula:
C21H23N3O
M.W.:
333.44
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
36.75
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4475756 Name:
4-(5-(Furan-3-yl)-4-methyl-2-propionylthiophen-3-y
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Mol. Formula:
C18H17NO4S2
M.W.:
375.47
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
90.37
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4475311 Name:
3-(4-Methoxyphenyl)-5-(quinuclidin-3-ylmethyl)-1,2
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Mol. Formula:
C18H24IN3O2
M.W.:
441.31
Type:
Unknown
AlogP:
2.77
Polar Surface Area:
48.15
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4475145 Name:
6-(2-Chloro-6-methylphenyl)-2-(benzylamino)thiazol
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Mol. Formula:
C19H15ClN4OS
M.W.:
382.88
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4474766 Name:
6-(2-Chloro-6-methylphenyl)-2-((4-chlorophenyl)ami
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Mol. Formula:
C18H12Cl2N4OS
M.W.:
403.29
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4474322 Name:
5-(Quinuclidin-3-ylmethyl)-3-(thiophen-2-yl)-1,2,4
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Mol. Formula:
C15H20IN3OS
M.W.:
417.32
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
38.92
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4540765 Name:
3-((3-(4-methylbenzyl)piperidin-3-yl)methoxy)pyrid
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Mol. Formula:
C19H24N2O
M.W.:
296.41
Type:
Unknown
AlogP:
3.38
Polar Surface Area:
34.15
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA4540260 Name:
4-Amino-N-(2-chloro-6-methylphenyl)-4'-fluoro-[1,1
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Mol. Formula:
C20H16ClFN2O
M.W.:
354.81
Type:
Unknown
AlogP:
5.29
Polar Surface Area:
55.12
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4540041 Name:
6-(2-Chloro-6-methylphenyl)-2-((3,5-dimethylphenyl
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Mol. Formula:
C20H17ClN4OS
M.W.:
396.90
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4539576 Name:
2-Amino-5-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-
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Mol. Formula:
C19H14Cl2FN3O
M.W.:
390.25
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
68.01
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4538631 Name:
(R)-7-Propoxy-N-(quinuclidin-3-yl)pyrrolo[1,2-a]qu
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Mol. Formula:
C23H27N3O2
M.W.:
377.49
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
45.98
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4537796 Name:
N-(2-Chloro-6-methyl-phenyl)-2-(benzylthio)thiazol
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Mol. Formula:
C19H15ClN4S2
M.W.:
398.94
Type:
Unknown
AlogP:
6.08
Polar Surface Area:
50.70
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4537033 Name:
2-[(3S,6S,9R,14R,17S,20S,23S,26S,29S,32S)-9-[[(2S)
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Mol. Formula:
C61H86N22O15S2
M.W.:
1431.63
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4536952 Name:
2-Amino-N-(2-chloro-6-methylphenyl)-5-(2-methoxyph
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Mol. Formula:
C20H18ClN3O2
M.W.:
367.84
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
77.24
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4536806 Name:
6-(2-Chloro-6-methylphenyl)-2-((3-fluoro-4-methylp
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Mol. Formula:
C19H14ClFN4OS
M.W.:
400.87
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4536476 Name:
6-(2,4-dimethoxyphenyl)-N4,N4-bis(pyridin-2-ylmeth
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Mol. Formula:
C24H24N6O2
M.W.:
428.50
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
99.28
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4536365 Name:
(R)-7-Cyclopropyl-N-(quinuclidin-3-yl)pyrrolo[1,2-
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Mol. Formula:
C23H25N3O
M.W.:
359.47
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
36.75
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4525713 Name:
3-Methyl-5-(quinuclidin-3-ylmethyl)-1,2,4-oxadiazo
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Mol. Formula:
C12H20IN3O
M.W.:
349.22
Type:
Unknown
AlogP:
1.41
Polar Surface Area:
38.92
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.71
DETAILS
CLOSE
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