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ALA4532985 Name:
N-(2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)nicoti
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Mol. Formula:
C16H13N5O
M.W.:
291.31
Type:
Unknown
AlogP:
1.57
Polar Surface Area:
69.95
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4555334 Name:
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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Mol. Formula:
C23H18FN7O
M.W.:
427.44
Type:
Unknown
AlogP:
3.56
Polar Surface Area:
143.60
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4570159 Name:
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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Mol. Formula:
C25H22FN7O
M.W.:
455.50
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
120.82
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4516601 Name:
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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Mol. Formula:
C24H20FN7O
M.W.:
441.47
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
129.61
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4577796 Name:
2-(2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-phe
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Mol. Formula:
C18H15N3O
M.W.:
289.34
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
48.19
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4464055 Name:
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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Mol. Formula:
C25H22FN7O
M.W.:
455.50
Type:
Unknown
AlogP:
4.21
Polar Surface Area:
129.61
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4461539 Name:
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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Mol. Formula:
C26H24FN7O
M.W.:
469.52
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
129.61
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4470291 Name:
2-((1S)-1-((6-Amino-5-cyano-4-pyrimidinyl)amino)et
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Mol. Formula:
C23H19FN8O
M.W.:
442.46
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
142.50
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3986383 Name:
4-(8-(1H-imidazol-5-yl)-2-methyl-3-(2-methyl-3-(tr
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Mol. Formula:
C23H23F3N6O
M.W.:
456.47
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
71.34
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4550603 Name:
N-(2-methoxy-5-(1-(4-methoxybenzyl)-3-methyl-2-oxo
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Mol. Formula:
C26H25N5O5S
M.W.:
519.58
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
117.34
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3983697 Name:
US9499523, 7
Mol. Formula:
C18H16Cl2N10O
M.W.:
459.30
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
176.54
HBA:
11
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3981609 Name:
US9499523, 13
Mol. Formula:
C18H15Cl3N10O
M.W.:
493.75
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
176.54
HBA:
11
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3981093 Name:
US9499523, 21
Mol. Formula:
C20H14ClF3N10O
M.W.:
502.85
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
174.31
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3974237 Name:
6-(Isoquinolin-4-yl)-4-(4-cyanomethyl)phenylaminoq
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Mol. Formula:
C25H17N5
M.W.:
387.45
Type:
Small molecule
AlogP:
5.65
Polar Surface Area:
74.49
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3798108 Name:
8-((2H-benzo[b][1,4]oxazin-4(3H)-yl)methyl)-N,N-di
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Mol. Formula:
C25H27N3O5
M.W.:
449.51
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
75.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3799831 Name:
8-((8-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)methy
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Mol. Formula:
C25H26FN3O5
M.W.:
467.50
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
75.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3799187 Name:
8-((6-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)methy
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Mol. Formula:
C25H26FN3O5
M.W.:
467.50
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
75.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3798914 Name:
(R)-8-((8-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)m
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Mol. Formula:
C26H28FN3O5
M.W.:
481.52
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
75.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3799511 Name:
(R)-8-((6-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)m
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Mol. Formula:
C26H28FN3O5
M.W.:
481.52
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
75.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3797812 Name:
(R)-8-((6,8-difluoro-2H-benzo[b][1,4]oxazin-4(3H)-
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Mol. Formula:
C26H27F2N3O5
M.W.:
499.51
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
75.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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