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ALA4475595 Name:
N-(((1S,2R,4S,5S)-5-((4-benzylpiperidin-1-yl)methy
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Mol. Formula:
C29H37N3O3
M.W.:
475.63
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
54.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4524391 Name:
(2R,3S,4R,5R)-2-(1,8-diazaspiro[4.5]decan-1-ylmeth
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Mol. Formula:
C19H29ClN6O3
M.W.:
424.93
Type:
Unknown
AlogP:
-0.15
Polar Surface Area:
121.69
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4554624 Name:
(1S,2S,3R,5S)-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidi
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Mol. Formula:
C17H17ClN4O2S
M.W.:
376.87
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
97.19
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4517481 Name:
(2R,3S,4R,5R)-2-((R)-hydroxy(1,2,3,4-tetrahydroiso
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Mol. Formula:
C21H24N4O4
M.W.:
396.45
Type:
Unknown
AlogP:
0.74
Polar Surface Area:
112.66
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4550297 Name:
(2S,5S)-2,5-diamino-6-((3S,4R,5R)-5-(6-amino-9H-pu
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Mol. Formula:
C15H21N7O5
M.W.:
379.38
Type:
Unknown
AlogP:
-1.94
Polar Surface Area:
208.65
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4547524 Name:
(1S,2S,3S,5R)-3-(6-(difluoromethyl)-1,2,3,4-tetrah
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Mol. Formula:
C22H24F2N4O3
M.W.:
430.46
Type:
Unknown
AlogP:
2.44
Polar Surface Area:
92.43
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4579108 Name:
(1S,2S,3R,5S)-3-(4-methyl-7H-pyrrolo[2,3-d]pyrimid
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Mol. Formula:
C22H23F3N4O3
M.W.:
448.45
Type:
Unknown
AlogP:
2.52
Polar Surface Area:
92.43
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4585734 Name:
(1S,2S,3R,5S)-3-(4-methyl-7H-pyrrolo[2,3-d]pyrimid
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Mol. Formula:
C21H24N4O3
M.W.:
380.45
Type:
Unknown
AlogP:
1.50
Polar Surface Area:
92.43
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4861625 Name:
(1S,2R,3aR,4S,6aR)-4-((2-amino-3,5-difluoroquinoli
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Mol. Formula:
C24H23F3N6O2
M.W.:
484.48
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
136.10
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4860893 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3-fluoroquinolin-7-
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Mol. Formula:
C23H23FN6O3
M.W.:
450.47
Type:
Unknown
AlogP:
1.93
Polar Surface Area:
145.33
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4860414 Name:
(2R,3R,3aS,6S,6aR)-6-(2-amino-3-fluoroquinolin-7-y
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Mol. Formula:
C22H21FN6O4
M.W.:
452.45
Type:
Unknown
AlogP:
1.51
Polar Surface Area:
154.56
HBA:
10
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4878171 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3,5-difluoroquinoli
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Mol. Formula:
C23H22F2N6O3
M.W.:
468.46
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
145.33
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4874774 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3-bromoquinolin-7-y
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Mol. Formula:
C24H24BrN5O3
M.W.:
510.39
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4874354 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3-chloroquinolin-7-
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Mol. Formula:
C24H24ClN5O3
M.W.:
465.94
Type:
Unknown
AlogP:
3.17
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4849342 Name:
(2R,3R,3aS,6S,6aR)-2-(4-amino-2-methyl-7H-pyrrolo[
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Mol. Formula:
C24H25BrN6O3
M.W.:
525.41
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
145.33
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4849067 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3-bromoquinolin-7-y
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Mol. Formula:
C26H26BrN5O3
M.W.:
536.43
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4848739 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3-fluoroquinolin-7-
Show More⌵
Mol. Formula:
C24H24FN5O3
M.W.:
449.49
Type:
Unknown
AlogP:
2.65
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4847518 Name:
(1S,2R,3aR,4S,6aR)-2-(4-amino-2-methyl-7H-pyrrolo[
Show More⌵
Mol. Formula:
C25H27FN6O2
M.W.:
462.53
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
136.10
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4846860 Name:
(2R,3R,3aS,6S,6aR)-6-((2-amino-3-chloroquinolin-7-
Show More⌵
Mol. Formula:
C23H23ClN6O3
M.W.:
466.93
Type:
Unknown
AlogP:
2.44
Polar Surface Area:
145.33
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4846178 Name:
(1S,2R,3aR,4S,6aR)-4-((2-amino-3-bromoquinolin-7-y
Show More⌵
Mol. Formula:
C24H25BrN6O2
M.W.:
509.41
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
136.10
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
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