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ALA4567380 Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
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Mol. Formula:
C16H16N4O3
M.W.:
312.33
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
93.18
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4530528 Name:
1-Benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-
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Mol. Formula:
C19H21N5O2
M.W.:
351.41
Type:
Unknown
AlogP:
2.98
Polar Surface Area:
67.40
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4526144 Name:
1-Benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-
Show More⌵
Mol. Formula:
C17H19N5O2
M.W.:
325.37
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
84.98
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4514970 Name:
3-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
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Mol. Formula:
C18H21N7O3
M.W.:
383.41
Type:
Unknown
AlogP:
1.55
Polar Surface Area:
102.29
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4579065 Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
Show More⌵
Mol. Formula:
C16H17N5O3
M.W.:
327.34
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
95.07
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4588973 Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
Show More⌵
Mol. Formula:
C16H16N4O3
M.W.:
312.33
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
93.18
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4461460 Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-
Show More⌵
Mol. Formula:
C15H16N4O3S
M.W.:
332.39
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
90.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4471870 Name:
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-
Show More⌵
Mol. Formula:
C19H17N5O4
M.W.:
379.38
Type:
Unknown
AlogP:
2.03
Polar Surface Area:
101.54
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4469393 Name:
N-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazo
Show More⌵
Mol. Formula:
C16H16N4O3
M.W.:
312.33
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
93.18
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3986724 Name:
US9247759, 4-75
Mol. Formula:
C19H18N4O3
M.W.:
350.38
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
86.09
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3986643 Name:
US9247759, 9-6
Mol. Formula:
C19H22N6O2
M.W.:
366.43
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
79.43
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3986303 Name:
US9247759, 4-45
Mol. Formula:
C15H17N5O2
M.W.:
299.33
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
88.74
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3985403 Name:
US9247759, 12-21
Mol. Formula:
C20H24N6O4
M.W.:
412.45
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
110.50
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3985068 Name:
US9247759, 10-70
Mol. Formula:
C25H24N6O3
M.W.:
456.51
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
92.78
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3985065 Name:
US9247759, 4-51
Mol. Formula:
C15H16N4O3
M.W.:
300.32
Type:
Small molecule
AlogP:
2.69
Polar Surface Area:
86.09
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3984079 Name:
US9247759, 10-41
Mol. Formula:
C13H15N5O3
M.W.:
289.30
Type:
Small molecule
AlogP:
0.98
Polar Surface Area:
93.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA3983912 Name:
US9247759, 10-72
Mol. Formula:
C20H22N6O5
M.W.:
426.43
Type:
Small molecule
AlogP:
1.92
Polar Surface Area:
115.82
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3983515 Name:
US9247759, 4-100
Mol. Formula:
C15H15FN4O3S
M.W.:
350.38
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
90.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3983490 Name:
US9247759, 4-41
Mol. Formula:
C19H22N4O3
M.W.:
354.41
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
82.18
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3983263 Name:
US9247759, 10-23
Mol. Formula:
C19H18N6O5
M.W.:
410.39
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
127.61
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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