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ALA4553276 Name:
6-amino-2-oxo-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol
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Mol. Formula:
C17H12N6O2S
M.W.:
364.39
Type:
Unknown
AlogP:
2.28
Polar Surface Area:
126.65
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5093061 Name:
N-(4-methoxyphenyl)-4-(3-(4-methylpiperazin-1-yl)p
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Mol. Formula:
C22H28N4O5
M.W.:
428.49
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
97.18
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5089719 Name:
N-(4-methoxyphenyl)-3-nitro-4-propoxybenzamide
Mol. Formula:
C17H18N2O5
M.W.:
330.34
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
90.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5086350 Name:
N-(4-methoxyphenyl)-3-amino-4-(3-(4-methylpiperazi
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Mol. Formula:
C22H30N4O3
M.W.:
398.51
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
80.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5084649 Name:
N-(4-methoxyphenyl)-3-amino-4-(3-(dimethylamino)pr
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Mol. Formula:
C19H25N3O3
M.W.:
343.43
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
76.82
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4452597 Name:
6-hydroxy-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-y
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Mol. Formula:
C13H9N5O2S
M.W.:
299.31
Type:
Unknown
AlogP:
1.95
Polar Surface Area:
100.89
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4440559 Name:
2-bromo-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)
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Mol. Formula:
C17H10BrN5OS
M.W.:
412.27
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
80.66
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3828633 Name:
6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]
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Mol. Formula:
C28H47N7O4S3
M.W.:
641.93
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
145.51
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA3613465 Name:
(Z)-2-(4-Oxopent-2-enoyl)-N-(5-(pyridin-4-yl)-1,3,
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Mol. Formula:
C22H15N5O3S
M.W.:
429.46
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
114.80
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3613464 Name:
2-(2-hydroperoxy-5-hydroxy-5-methyl-2,5-dihydrofur
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Mol. Formula:
C22H17N5O5S
M.W.:
463.48
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
139.58
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3613463 Name:
2-(5-hydroperoxy-2-hydroxy-5-methyl-2,5-dihydrofur
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Mol. Formula:
C22H17N5O5S
M.W.:
463.48
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
139.58
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3613462 Name:
4-((5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)carbamo
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Mol. Formula:
C18H11N5O3S
M.W.:
377.39
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
117.96
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3613310 Name:
2-(5-Methylfuran-2-yl)-N-(5-(pyridin-4-yl)-1,3,4-t
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Mol. Formula:
C22H15N5O2S
M.W.:
413.46
Type:
Small molecule
AlogP:
4.97
Polar Surface Area:
93.80
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3392631 Name:
SID26755398
Cas Number:
18271-17-5
Mol. Formula:
C17H15NO2S
M.W.:
297.38
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
46.17
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2028107 Name:
SID124756641
Cas Number:
1179446-52-6
Mol. Formula:
C22H27ClN6O
M.W.:
426.95
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
75.20
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2028094 Name:
SID124756640
Cas Number:
1179480-98-8
Mol. Formula:
C22H27ClN6O2
M.W.:
442.95
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
84.43
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2007483 Name:
SID124756663
Mol. Formula:
C17H14BrN3O2S
M.W.:
404.29
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
67.87
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2006724 Name:
SID103074691
Mol. Formula:
C20H20N2O4
M.W.:
352.39
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
69.68
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA2006707 Name:
SID99456115
Mol. Formula:
C25H25N3O4
M.W.:
431.49
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
72.92
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2005684 Name:
SID103158641
Mol. Formula:
C23H18F2N2O4
M.W.:
424.40
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
69.68
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
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