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ALA5287424 Name:
N-(3-(4-(2-(8-fluoro-2-methylimidazo[1,2-a]pyridin
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Mol. Formula:
C29H34FN7O2
M.W.:
531.64
Type:
---
AlogP:
3.79
Polar Surface Area:
87.25
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5283900 Name:
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-e
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Mol. Formula:
C22H25N7O
M.W.:
403.49
Type:
---
AlogP:
2.16
Polar Surface Area:
71.04
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5289477 Name:
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-
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Mol. Formula:
C23H27N7O
M.W.:
417.52
Type:
---
AlogP:
2.42
Polar Surface Area:
71.04
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5287860 Name:
N-(3-(4-(2-(8-fluoro-2-methylimidazo[1,2-a]pyridin
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Mol. Formula:
C28H32FN7O3
M.W.:
533.61
Type:
---
AlogP:
2.80
Polar Surface Area:
104.32
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1604968 Name:
SID865208
Mol. Formula:
C20H21N3O2
M.W.:
335.41
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
47.36
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA1604961 Name:
SID24814000
Mol. Formula:
C16H14F3NO3
M.W.:
325.29
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA1604840 Name:
SID24808224
Mol. Formula:
C20H22N4O2
M.W.:
350.42
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
70.25
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1604811 Name:
SID24814017
Mol. Formula:
C19H20N2O5
M.W.:
356.38
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
104.73
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1604783 Name:
SID14721811
Mol. Formula:
C16H21N5OS
M.W.:
331.45
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
63.91
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1604776 Name:
SID7964776
Mol. Formula:
C22H25N3O4
M.W.:
395.46
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
82.45
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1604754 Name:
SID4254209
Mol. Formula:
C12H20N3O8PPt-2
M.W.:
560.36
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1604702 Name:
SID4263792
Mol. Formula:
C17H17N5OS3
M.W.:
403.56
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
72.70
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA1604650 Name:
SID24830236
Mol. Formula:
C13H15N3O4
M.W.:
277.28
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
93.83
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1604609 Name:
SID7970451
Cas Number:
868680-58-4
Mol. Formula:
C16H19N3O5
M.W.:
333.34
Type:
Small molecule
AlogP:
0.09
Polar Surface Area:
88.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA1604597 Name:
SID858641
Mol. Formula:
C22H13N5
M.W.:
347.38
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
78.29
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1604526 Name:
SID4260574
Mol. Formula:
C16H20N4O3
M.W.:
316.36
Type:
Small molecule
AlogP:
0.00
Polar Surface Area:
76.46
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1604506 Name:
SID24794146
Mol. Formula:
C18H18N2O3S
M.W.:
342.42
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA1604452 Name:
SID24270316
Mol. Formula:
C20H24FNO3
M.W.:
345.41
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA1604360 Name:
SID17402197
Cas Number:
477857-39-9
Mol. Formula:
C23H14F3N3O2
M.W.:
421.38
Type:
Small molecule
AlogP:
5.44
Polar Surface Area:
64.97
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1604351 Name:
SID14740444
Mol. Formula:
C11H18N2O4S2
M.W.:
306.41
Type:
Small molecule
AlogP:
1.13
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
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