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ALA5187963 Name:
8-Methyl-2-((pyrimidin-2-ylthio)methyl)quinazolin-
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Mol. Formula:
C14H12N4OS
M.W.:
284.34
Type:
---
AlogP:
2.31
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5181770 Name:
6-Bromo-8-methyl-2-((pyrimidin-2-ylthio)methyl)qui
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Mol. Formula:
C14H11BrN4OS
M.W.:
363.24
Type:
---
AlogP:
3.08
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4532640 Name:
1-(1-(2-Chlorobenzoyl)piperidin-4-yl)-8,9-dihydro-
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Mol. Formula:
C21H20ClN5O2
M.W.:
409.88
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
80.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4093008 Name:
(S)-1-Benzyl-N-(5-((2,4-dioxo-3,4-dihydroquinazoli
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Mol. Formula:
C26H24FN5O3
M.W.:
473.51
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
100.09
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4091988 Name:
(S)-N-(2-Bromo-5-((2,4-dioxo-3,4-dihydroquinazolin
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Mol. Formula:
C22H20BrF3N4O5
M.W.:
557.32
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
95.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4089975 Name:
(S)-tert-Butyl 3-((2-bromo-5-((2,4-dioxo-3,4-dihyd
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Mol. Formula:
C24H26BrN5O5
M.W.:
544.41
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
126.39
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4522170 Name:
1-(4-(Piperazin-1-yl)phenyl)-8,9-dihydro-2,4,7,9a-
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Mol. Formula:
C19H20N6O
M.W.:
348.41
Type:
Unknown
AlogP:
1.25
Polar Surface Area:
75.08
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4592544 Name:
1-(4-((Dimethylamino)methyl)phenyl)-8,9-dihydro-2,
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Mol. Formula:
C18H19N5O
M.W.:
321.38
Type:
Unknown
AlogP:
1.90
Polar Surface Area:
63.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4590570 Name:
1-(1-Propylpiperidin-4-yl)-8,9-dihydro-2,4,7,9a-te
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Mol. Formula:
C17H23N5O
M.W.:
313.41
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
63.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4586369 Name:
1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-8,9-dih
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Mol. Formula:
C18H21N5O2
M.W.:
339.40
Type:
Unknown
AlogP:
1.29
Polar Surface Area:
80.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4579910 Name:
1-(1-Acetylpiperidin-4-yl)-8,9-dihydro-2,4,7,9a-te
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Mol. Formula:
C16H19N5O2
M.W.:
313.36
Type:
Unknown
AlogP:
0.90
Polar Surface Area:
80.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4578024 Name:
1-(1-Benzoylpiperidin-4-yl)-8,9-dihydro-2,4,7,9a-t
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Mol. Formula:
C21H21N5O2
M.W.:
375.43
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
80.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4570886 Name:
1-(4-(4-Methylpiperazin-1-yl)phenyl)-8,9-dihydro-2
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Mol. Formula:
C20H22N6O
M.W.:
362.44
Type:
Unknown
AlogP:
1.59
Polar Surface Area:
66.29
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4569417 Name:
1-(3-(4-(3-(tert-butyldimethylsilyloxy)propyl)-3-o
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Mol. Formula:
C29H37FN4O5Si
M.W.:
568.72
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4084234 Name:
(S)-N-(5-((2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-y
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Mol. Formula:
C21H20F3N5O5
M.W.:
479.42
Type:
Small molecule
AlogP:
0.68
Polar Surface Area:
108.88
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4083291 Name:
(S)-N-(5-((2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-y
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Mol. Formula:
C22H21F4N5O3
M.W.:
479.43
Type:
Small molecule
AlogP:
2.49
Polar Surface Area:
100.09
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4083109 Name:
(S)-N-(5-((2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-y
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Mol. Formula:
C21H19F4N5O5
M.W.:
497.41
Type:
Small molecule
AlogP:
0.82
Polar Surface Area:
108.88
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4082728 Name:
(S)-N-(5-((2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-y
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Mol. Formula:
C25H23FN6O3
M.W.:
474.50
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
112.98
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4067999 Name:
(S)-1-(2-Cyclopropylethyl)-N-(5-((2,4-dioxo-3,4-di
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Mol. Formula:
C24H26FN5O3
M.W.:
451.50
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
100.09
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4515565 Name:
1-(1-Benzylpiperidin-4-yl)-8,9-dihydro-2,4,7,9a-te
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Mol. Formula:
C21H23N5O
M.W.:
361.45
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
63.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
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