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ALA5283886 Name:
((1S,2S,4S,5S)-4-(2-iodo-6-(methylamino)-9H-purin-
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Mol. Formula:
C13H18IN5O8P2
M.W.:
561.17
Type:
---
AlogP:
1.01
Polar Surface Area:
189.15
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1096400 Name:
diammonium (2R,3S,5R)-2-[(hydrogen phosphonatooxy)
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Mol. Formula:
C11H23N7O9P2
M.W.:
459.29
Type:
Small molecule
AlogP:
-0.26
Polar Surface Area:
198.38
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5276113 Name:
((1S,2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-(phosph
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Mol. Formula:
C12H17N5O8P2
M.W.:
421.24
Type:
---
AlogP:
-0.27
Polar Surface Area:
203.14
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5269533 Name:
((1S,2S,4S,5S)-4-(6-amino-9H-purin-9-yl)-2-(phosph
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Mol. Formula:
C12H17N5O8P2
M.W.:
421.24
Type:
---
AlogP:
-0.05
Polar Surface Area:
203.14
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4294630 Name:
1-(2-(2-tert-butylphenoxy)phenyl)-3-(4-(trifluorom
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Mol. Formula:
C24H23F3N2O3
M.W.:
444.45
Type:
Small molecule
AlogP:
7.32
Polar Surface Area:
59.59
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4292253 Name:
benzyl 5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)u
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Mol. Formula:
C28H27N3O4S
M.W.:
501.61
Type:
Small molecule
AlogP:
7.23
Polar Surface Area:
89.55
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4291162 Name:
5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)ureido)-
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Mol. Formula:
C27H33N5O4S
M.W.:
523.66
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
104.82
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4288847 Name:
2-(piperidin-1-yl)ethyl 5-(3-(2-(2-tert-butylpheno
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Mol. Formula:
C28H34N4O4S
M.W.:
522.67
Type:
Small molecule
AlogP:
6.52
Polar Surface Area:
92.79
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4287760 Name:
1-butyl-3-(2-(2-tert-butylphenoxy)pyridin-3-yl)ure
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Mol. Formula:
C20H27N3O2
M.W.:
341.46
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
63.25
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4287333 Name:
1-(Adamantan-2-yl)-3-(2-(2-(tert-butyl)phenoxy)pyr
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Mol. Formula:
C26H33N3O2
M.W.:
419.57
Type:
Small molecule
AlogP:
6.12
Polar Surface Area:
63.25
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4284352 Name:
ethyl 5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)ur
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Mol. Formula:
C23H25N3O4S
M.W.:
439.54
Type:
Small molecule
AlogP:
6.05
Polar Surface Area:
89.55
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4284032 Name:
1-(2-(2-tert-butylphenoxy)-4-methylphenyl)-3-(4-(t
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Mol. Formula:
C25H25F3N2O3
M.W.:
458.48
Type:
Small molecule
AlogP:
7.63
Polar Surface Area:
59.59
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4280945 Name:
2-morpholinoethyl 5-(3-(2-(2-tert-butylphenoxy)pyr
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Mol. Formula:
C27H32N4O5S
M.W.:
524.64
Type:
Small molecule
AlogP:
5.37
Polar Surface Area:
102.02
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4280909 Name:
1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-(2-methy
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Mol. Formula:
C23H31N3O2
M.W.:
381.52
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
63.25
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4280527 Name:
1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-(5-cyano
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Mol. Formula:
C21H20N4O2S
M.W.:
392.48
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
87.04
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4279409 Name:
1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-cyclopen
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Mol. Formula:
C21H27N3O2
M.W.:
353.47
Type:
Small molecule
AlogP:
5.24
Polar Surface Area:
63.25
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4278771 Name:
methyl 5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)u
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Mol. Formula:
C22H23N3O4S
M.W.:
425.51
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
89.55
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4277104 Name:
1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-((1r,4r)
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Mol. Formula:
C23H31N3O2
M.W.:
381.52
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
63.25
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4276825 Name:
1-(2-(2-tert-butylphenoxy)-6-methylpyridin-3-yl)-3
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Mol. Formula:
C24H24F3N3O3
M.W.:
459.47
Type:
Small molecule
AlogP:
7.02
Polar Surface Area:
72.48
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4214232 Name:
Phosphoric acid mono-[(1S,2R,4R)-4-(6-methylamino-
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Mol. Formula:
C12H19N5O8P2
M.W.:
423.26
Type:
Small molecule
AlogP:
0.41
Polar Surface Area:
189.15
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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