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ALA4475381 Name:
(1R,2S)-5'-fluoro-2-(3-(6-(4-methylpiperazin-1-yl)
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Mol. Formula:
C27H25FN6O
M.W.:
468.54
Type:
Unknown
AlogP:
3.89
Polar Surface Area:
77.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4553351 Name:
(1R,2S)-5'-methoxy-2-(3-(4-(piperazin-1-yl)phenyl)
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Mol. Formula:
C28H27N5O2
M.W.:
465.56
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
82.28
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4516793 Name:
(rac)-(1R,2S)-5'-methoxy-2-(3-(6-(4-methylpiperazi
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Mol. Formula:
C28H28N6O2
M.W.:
480.57
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
86.38
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4546145 Name:
(rac)-(1R,2S)-2-(3-(6-(4-methylpiperazin-1-yl)pyri
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Mol. Formula:
C27H26N6O
M.W.:
450.55
Type:
Unknown
AlogP:
3.75
Polar Surface Area:
77.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4579738 Name:
(E/Z)-3-((3-(pyridin-3-yl)-1H-indazol-6-yl)methyle
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Mol. Formula:
C21H14N4O
M.W.:
338.37
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
70.67
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4590185 Name:
(rac)-(1R,2S)-5'-methoxy-2-(3-(6-morpholinopyridin
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Mol. Formula:
C27H25N5O3
M.W.:
467.53
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
92.37
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4461353 Name:
(rac)-(1R,2S)-2-(3-(6-(4-hydroxypiperidin-1-yl)pyr
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Mol. Formula:
C28H27N5O3
M.W.:
481.56
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
103.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4467348 Name:
(1S,2R)-5'-methoxy-2-(3-(6-(4-methylpiperazin-1-yl
Show More⌵
Mol. Formula:
C28H28N6O2
M.W.:
480.57
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
86.38
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4466113 Name:
(E)-3-((3-(thiazol-2-yl)-1H-indazol-6-yl)methylene
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Mol. Formula:
C19H12N4OS
M.W.:
344.40
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
70.67
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4470693 Name:
(1R,2S)-2-(3-(4-(4-(2-hydroxyethyl)piperazin-1-yl)
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Mol. Formula:
C30H31N5O3
M.W.:
509.61
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
93.72
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4562664 Name:
(E/Z)-3-((3-(pyridin-4-yl)-1H-indazol-6-yl)methyle
Show More⌵
Mol. Formula:
C21H14N4O
M.W.:
338.37
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
70.67
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5209160 Name:
N6-(2,4-difluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-
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Mol. Formula:
C16H14F2N8
M.W.:
356.34
Type:
---
AlogP:
3.02
Polar Surface Area:
107.20
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5208535 Name:
N6-(2-bromobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-1
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Mol. Formula:
C16H15BrN8
M.W.:
399.26
Type:
---
AlogP:
3.50
Polar Surface Area:
107.20
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5207473 Name:
1-(6-((4-chlorobenzyl)amino)-4-((5-methyl-1H-pyraz
Show More⌵
Mol. Formula:
C20H23ClN8O
M.W.:
426.91
Type:
---
AlogP:
3.64
Polar Surface Area:
116.57
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5205336 Name:
N-(5-methyl-1H-pyrazol-3-yl)-6-(piperazin-1-yl)-1H
Show More⌵
Mol. Formula:
C13H17N9
M.W.:
299.34
Type:
---
AlogP:
0.54
Polar Surface Area:
110.44
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5201909 Name:
N6-(4-chlorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
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Mol. Formula:
C21H23ClN8O
M.W.:
438.92
Type:
---
AlogP:
4.22
Polar Surface Area:
105.57
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5200865 Name:
N6-(4-fluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
Show More⌵
Mol. Formula:
C16H15FN8
M.W.:
338.35
Type:
---
AlogP:
2.88
Polar Surface Area:
107.20
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5200812 Name:
N6-(2,4-difluorobenzyl)-N4-(5-methylthiazol-2-yl)-
Show More⌵
Mol. Formula:
C21H21F2N7OS
M.W.:
457.51
Type:
---
AlogP:
4.58
Polar Surface Area:
89.78
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5200125 Name:
N6-(4-chlorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
Show More⌵
Mol. Formula:
C21H24ClN9
M.W.:
437.94
Type:
---
AlogP:
3.79
Polar Surface Area:
108.37
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5199896 Name:
N6-(3-fluorobenzyl)-N4-(5-methyl-1H-pyrazol-3-yl)-
Show More⌵
Mol. Formula:
C16H15FN8
M.W.:
338.35
Type:
---
AlogP:
2.88
Polar Surface Area:
107.20
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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