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ALA4866331 Name:
(2R,3S,4S,5R,6R)-2-((R)-1-aminoethyl)-6-(((1R,2R,3
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Mol. Formula:
C19H38N4O10
M.W.:
482.53
Type:
Unknown
AlogP:
-5.88
Polar Surface Area:
262.38
HBA:
14
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4859688 Name:
(2R,3S,4R,5R,6S)-5-amino-6-((1S,2R,3S,4R,6S)-4,6-d
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Mol. Formula:
C19H38N4O10
M.W.:
482.53
Type:
Unknown
AlogP:
-5.88
Polar Surface Area:
262.38
HBA:
14
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5221120 Name:
1-(3-(dimethylamino)propyl)-3-(4-(furan-3-yl)-5,6,
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Mol. Formula:
C20H30N6O
M.W.:
370.50
Type:
---
AlogP:
3.28
Polar Surface Area:
90.07
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5221112 Name:
(R)-1-(4,5-dimethylquinazolin-2-yl)-3-(pyrrolidin-
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Mol. Formula:
C15H20N6
M.W.:
284.37
Type:
---
AlogP:
1.54
Polar Surface Area:
85.72
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5221098 Name:
(S)-1-(4,5-dimethylquinazolin-2-yl)-3-(pyrrolidin-
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Mol. Formula:
C15H20N6
M.W.:
284.37
Type:
---
AlogP:
1.54
Polar Surface Area:
85.72
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5221050 Name:
1-(4,5-dimethyl-6-(thiophen-2-yl)pyrimidin-2-yl)-3
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Mol. Formula:
C18H26N6S
M.W.:
358.52
Type:
---
AlogP:
3.24
Polar Surface Area:
76.93
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5221033 Name:
1-(5-bromo-4-(furan-3-yl)-6-methylpyrimidin-2-yl)-
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Mol. Formula:
C17H23BrN6O
M.W.:
407.32
Type:
---
AlogP:
3.23
Polar Surface Area:
90.07
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5221022 Name:
1-(4,7-dimethylquinazolin-2-yl)-3-(2-(2-hydroxyeth
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Mol. Formula:
C15H21N5O2
M.W.:
303.37
Type:
---
AlogP:
1.19
Polar Surface Area:
103.15
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5221021 Name:
1-(5,7-difluoro-4-methylquinazolin-2-yl)-3-(3-(dim
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Mol. Formula:
C15H20F2N6
M.W.:
322.36
Type:
---
AlogP:
2.10
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5221018 Name:
1-(4,7-dimethylquinazolin-2-yl)-3-(2-methoxyethyl)
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Mol. Formula:
C14H19N5O
M.W.:
273.34
Type:
---
AlogP:
1.83
Polar Surface Area:
82.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5220981 Name:
1-(3-(dimethylamino)propyl)-3-(4-methyl-6-phenylpy
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Mol. Formula:
C17H24N6
M.W.:
312.42
Type:
---
AlogP:
2.34
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5220946 Name:
1-(3-methoxyphenyl)-3-(4-methylquinazolin-2-yl)gua
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Mol. Formula:
C17H17N5O
M.W.:
307.36
Type:
---
AlogP:
3.41
Polar Surface Area:
82.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5220908 Name:
7-chloro-4-methyl-2-(sulfamoylamino)quinazoline
Mol. Formula:
C9H9ClN4O2S
M.W.:
272.72
Type:
---
AlogP:
1.21
Polar Surface Area:
97.97
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5220886 Name:
1-(3-(dimethylamino)cyclohexyl)-3-(7-fluoro-4-meth
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Mol. Formula:
C18H25FN6
M.W.:
344.44
Type:
---
AlogP:
2.89
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5220879 Name:
1-(7-chloro-4-methylquinazolin-2-yl)-3-(3-(dimethy
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Mol. Formula:
C18H19ClN6
M.W.:
354.85
Type:
---
AlogP:
4.12
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5220870 Name:
1-(7-fluoro-4-methylquinazolin-2-yl)-3-(3-(pyrroli
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Mol. Formula:
C17H23FN6
M.W.:
330.41
Type:
---
AlogP:
2.50
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5220845 Name:
1-(3-(dimethylamino)-2,2-difluoropropyl)-3-(4-meth
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Mol. Formula:
C15H20F2N6
M.W.:
322.36
Type:
---
AlogP:
2.07
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5220801 Name:
1-(7-chloro-4-methylquinazolin-2-yl)-3-(3-(dimethy
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Mol. Formula:
C15H21ClN6
M.W.:
320.83
Type:
---
AlogP:
2.48
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5220795 Name:
1-(6-(dimethylamino)hexyl)-3-(7-fluoro-4-methylqui
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Mol. Formula:
C18H27FN6
M.W.:
346.45
Type:
---
AlogP:
3.14
Polar Surface Area:
76.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5220780 Name:
1-(3-(dimethylamino)propyl)-3-(4-(furan-3-yl)thien
Show More⌵
Mol. Formula:
C16H20N6OS
M.W.:
344.44
Type:
---
AlogP:
2.84
Polar Surface Area:
90.07
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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