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ALA3349294 Name:
SID50108526
Mol. Formula:
C18H26NO3+
M.W.:
304.41
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3214523 Name:
SID14727023
Mol. Formula:
C16H18N2O3
M.W.:
286.33
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
63.83
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3214139 Name:
SID17409492
Mol. Formula:
C15H14N2O3S
M.W.:
302.36
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
64.73
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3213966 Name:
SID14745026
Mol. Formula:
C9H11NO2
M.W.:
165.19
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
41.82
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.42
DETAILS
CLOSE
ALA3213084 Name:
SID14737081
Mol. Formula:
C17H12Cl2FN5O
M.W.:
392.22
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
63.38
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3212936 Name:
SID17385981
Mol. Formula:
C23H25BrN2O6
M.W.:
505.37
Type:
Small molecule
AlogP:
4.99
Polar Surface Area:
102.51
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3212866 Name:
SID14735988
Mol. Formula:
C18H20N2O
M.W.:
280.37
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
44.62
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3212804 Name:
SID17388003
Mol. Formula:
C17H18N2OS
M.W.:
298.41
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
41.46
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3212475 Name:
SID17507749
Mol. Formula:
C15H19N3O4
M.W.:
305.33
Type:
Small molecule
AlogP:
0.44
Polar Surface Area:
89.02
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3212402 Name:
SID14738542
Mol. Formula:
C11H9ClN4O
M.W.:
248.67
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
70.40
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3212345 Name:
SID17388355
Mol. Formula:
C24H24N2O3S
M.W.:
420.53
Type:
Small molecule
AlogP:
4.66
Polar Surface Area:
59.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3212145 Name:
SID16953103
Mol. Formula:
C15H13N7O2
M.W.:
323.32
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
111.13
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3211566 Name:
SID24811476
Mol. Formula:
C20H21BrN2O6
M.W.:
465.30
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
87.61
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3211403 Name:
SID7966610
Mol. Formula:
C15H17N5O2
M.W.:
299.33
Type:
Small molecule
AlogP:
2.56
Polar Surface Area:
85.42
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3211329 Name:
SID14731149
Mol. Formula:
C14H21N3O
M.W.:
247.34
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
54.35
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3211303 Name:
SID4240953
Mol. Formula:
C8H13N3O3
M.W.:
199.21
Type:
Small molecule
AlogP:
0.15
Polar Surface Area:
68.57
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3211185 Name:
SID17402369
Mol. Formula:
C19H12Cl3N3O4
M.W.:
452.68
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
82.78
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3210965 Name:
SID4250440
Mol. Formula:
C15H17N3O2S
M.W.:
303.39
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
57.69
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA3210899 Name:
SID14727737
Mol. Formula:
C15H20N4O2
M.W.:
288.35
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
70.62
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3210346 Name:
SID14729531
Mol. Formula:
C13H15NO4
M.W.:
249.27
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
60.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
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