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ALA4567574 Name:
N-carbamimidoyl-5-(2-methoxyethyl)-1-(quinolin-5-y
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Mol. Formula:
C17H18N6O2
M.W.:
338.37
Type:
Unknown
AlogP:
1.23
Polar Surface Area:
118.91
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4581902 Name:
4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5
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Mol. Formula:
C21H21NO4S
M.W.:
383.47
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
71.52
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4777957 Name:
(2S,4R)-1-((S)-2-(5-(2-(2,3-difluoro-6-(2-morpholi
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Mol. Formula:
C44H55F2N7O7S2
M.W.:
896.10
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
166.53
HBA:
12
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4587320 Name:
4-(6-(2-amino-3-fluoropyridin-4-yl)-2-methyl-4-(4H
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Mol. Formula:
C24H15F3N8O
M.W.:
488.43
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
131.16
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4793692 Name:
(R)-2-(4-cyanophenyl)-N-(4-(7-(1-hydroxypropan-2-y
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Mol. Formula:
C24H20N6O3
M.W.:
440.46
Type:
Unknown
AlogP:
2.66
Polar Surface Area:
133.79
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4470860 Name:
(rac)-4-(1-(5,8-Difluoroquinolin-4-yl)-2-methyl-4-
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Mol. Formula:
C24H15F3N8
M.W.:
472.43
Type:
Unknown
AlogP:
4.73
Polar Surface Area:
111.19
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4470855 Name:
N-(cyanomethyl)-4-(2-(4-(3-oxomorpholino)phenylami
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Cas Number:
1841094-23-2
Mol. Formula:
C23H20N6O3
M.W.:
428.45
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
120.24
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4088155 Name:
2-fluoro-N-methyl-4-(3-oxo-7-(quinolin-7-ylmethyl)
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Mol. Formula:
C23H17FN6O2
M.W.:
428.43
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
105.04
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3985406 Name:
(R)-3-Fluoro-N-((1R,3S)-3-((5-fluoro-2-(5-fluoro-1
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Mol. Formula:
C21H23F3N8O
M.W.:
460.46
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
111.72
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4063423 Name:
7-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3
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Mol. Formula:
C20H11F3N6
M.W.:
392.34
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
68.86
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3981773 Name:
N-((1R,3S)-3-((5-Fluoro-2-(5-fluoro-1H-pyrazolo[3,
Show More⌵
Mol. Formula:
C21H19F2N7OS
M.W.:
455.49
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
108.48
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3805809 Name:
(S)-4-amino-6-(1-(5-chloro-4-oxo-3-phenyl-3,4-dihy
Show More⌵
Mol. Formula:
C21H16ClN7O2
M.W.:
433.86
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
142.74
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
87.45
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
68.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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