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ALA4876933 Name:
(R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl
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Mol. Formula:
C21H23FN4O4
M.W.:
414.44
Type:
Unknown
AlogP:
0.85
Polar Surface Area:
110.56
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4876894 Name:
methyl (R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-
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Mol. Formula:
C22H25FN4O4
M.W.:
428.46
Type:
Unknown
AlogP:
0.93
Polar Surface Area:
99.56
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4875769 Name:
(R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl
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Mol. Formula:
C21H23BrN4O4
M.W.:
475.34
Type:
Unknown
AlogP:
1.47
Polar Surface Area:
110.56
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4873862 Name:
(R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl
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Mol. Formula:
C21H23BrN4O4
M.W.:
475.34
Type:
Unknown
AlogP:
1.47
Polar Surface Area:
110.56
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4871141 Name:
methyl (R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-
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Mol. Formula:
C22H25FN4O4
M.W.:
428.46
Type:
Unknown
AlogP:
0.93
Polar Surface Area:
99.56
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4863369 Name:
methyl (R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-
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Mol. Formula:
C22H25BrN4O4
M.W.:
489.37
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
99.56
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4857729 Name:
(R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl
Show More⌵
Mol. Formula:
C21H23FN4O4
M.W.:
414.44
Type:
Unknown
AlogP:
0.85
Polar Surface Area:
110.56
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4856255 Name:
methyl (R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-
Show More⌵
Mol. Formula:
C22H25BrN4O4
M.W.:
489.37
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
99.56
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1082997 Name:
(S)-1-(2-(2-methyl-4-oxo-4-(pyrrolidin-1-yl)butan-
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Mol. Formula:
C16H26N4O2
M.W.:
306.41
Type:
Small molecule
AlogP:
0.88
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1085552 Name:
3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C18H24FN5O3
M.W.:
377.42
Type:
Small molecule
AlogP:
1.25
Polar Surface Area:
107.35
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1085305 Name:
3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o
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Mol. Formula:
C20H27FN4O4
M.W.:
406.46
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
103.69
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1084601 Name:
(2S,4S)-1-(2-(4-(7-azabicyclo[2.2.1]heptan-7-yl)-2
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Mol. Formula:
C18H27FN4O2
M.W.:
350.44
Type:
Small molecule
AlogP:
1.36
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA1085598 Name:
(2S,4S)-1-(2-(4-(azepan-1-yl)-2-methyl-4-oxobutan-
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Mol. Formula:
C18H29FN4O2
M.W.:
352.45
Type:
Small molecule
AlogP:
1.61
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1085597 Name:
ethyl 4-(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-
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Mol. Formula:
C19H30FN5O4
M.W.:
411.48
Type:
Small molecule
AlogP:
0.51
Polar Surface Area:
105.98
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1085596 Name:
(2S,4S)-4-fluoro-1-(2-(2-methyl-4-(4-methylpiperaz
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Mol. Formula:
C17H28FN5O2
M.W.:
353.44
Type:
Small molecule
AlogP:
-0.02
Polar Surface Area:
79.68
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1085332 Name:
(2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(4-oxopipe
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Mol. Formula:
C17H25FN4O3
M.W.:
352.41
Type:
Small molecule
AlogP:
0.40
Polar Surface Area:
93.51
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA1086039 Name:
(2S,4S)-4-fluoro-1-(2-(4-((S)-2-(hydroxymethyl)pyr
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Mol. Formula:
C17H27FN4O3
M.W.:
354.43
Type:
Small molecule
AlogP:
0.19
Polar Surface Area:
96.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1082465 Name:
(2S,4S)-4-fluoro-1-(2-(4-((R)-3-fluoropyrrolidin-1
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Mol. Formula:
C16H24F2N4O2
M.W.:
342.39
Type:
Small molecule
AlogP:
0.78
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1082464 Name:
(2S,4S)-4-fluoro-1-(2-(4-((S)-3-hydroxypyrrolidin-
Show More⌵
Mol. Formula:
C16H25FN4O3
M.W.:
340.40
Type:
Small molecule
AlogP:
-0.20
Polar Surface Area:
96.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1086502 Name:
(S)-1-(2-(4-((R)-3-hydroxypyrrolidin-1-yl)-2-methy
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Mol. Formula:
C16H26N4O3
M.W.:
322.41
Type:
Small molecule
AlogP:
-0.15
Polar Surface Area:
96.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
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