The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA4299711 Name:
Mol. Formula:
C22H28Cl3N7O2
M.W.:
528.87
Type:
Small molecule
AlogP:
2.49
Polar Surface Area:
130.19
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3986101 Name:
Mol. Formula:
C22H23ClN4O5
M.W.:
458.90
Type:
Small molecule
AlogP:
2.31
Polar Surface Area:
111.21
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3985739 Name:
Mol. Formula:
C26H28ClN7O2
M.W.:
506.01
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
110.67
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3985693 Name:
Mol. Formula:
C18H19FN4O5S
M.W.:
422.44
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
128.52
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3983469 Name:
Mol. Formula:
C20H20N4O2
M.W.:
348.41
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
81.34
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3983152 Name:
Mol. Formula:
C16H23N5O4
M.W.:
349.39
Type:
Small molecule
AlogP:
0.22
Polar Surface Area:
139.54
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3983107 Name:
Mol. Formula:
C23H25N7O
M.W.:
415.50
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
79.61
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3982842 Name:
Mol. Formula:
C22H18ClN3O2
M.W.:
391.86
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
71.17
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3981957 Name:
Mol. Formula:
C17H14N4O2
M.W.:
306.33
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
92.34
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3981807 Name:
Mol. Formula:
C22H20ClFN4O4S
M.W.:
490.94
Type:
Small molecule
AlogP:
2.11
Polar Surface Area:
103.67
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3981401 Name:
Mol. Formula:
C20H26N6O4
M.W.:
414.47
Type:
Small molecule
AlogP:
0.44
Polar Surface Area:
137.03
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3981215 Name:
Mol. Formula:
C16H21N5O4
M.W.:
347.38
Type:
Small molecule
AlogP:
-0.44
Polar Surface Area:
139.54
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3980715 Name:
Mol. Formula:
C23H20N4O3
M.W.:
400.44
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
97.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3980414 Name:
Mol. Formula:
C17H14N4O
M.W.:
290.33
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
72.11
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3979879 Name:
Mol. Formula:
C22H19ClF2N4O3S
M.W.:
492.94
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
83.44
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3979513 Name:
Mol. Formula:
C24H20N4O2
M.W.:
396.45
Type:
Small molecule
AlogP:
3.53
Polar Surface Area:
92.34
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3979386 Name:
Mol. Formula:
C23H22ClFN4O4S
M.W.:
504.97
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
92.67
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3978846 Name:
Mol. Formula:
C17H23N5O3S
M.W.:
377.47
Type:
Small molecule
AlogP:
0.93
Polar Surface Area:
119.31
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3977531 Name:
Mol. Formula:
C23H22ClFN4O4S
M.W.:
504.97
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
92.67
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3975547 Name:
Mol. Formula:
C30H29N5O2
M.W.:
491.60
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
106.06
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description