The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA3856092 Name:
SID24780148
Mol. Formula:
C16H11N7O5S
M.W.:
413.38
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
174.81
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3856090 Name:
SID24781728
Mol. Formula:
C16H11N7O5S
M.W.:
413.38
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
174.81
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3856088 Name:
SID24784551
Mol. Formula:
C16H11ClN6O3S
M.W.:
402.82
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
131.67
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3392075 Name:
SID24821804
Mol. Formula:
C17H24N4O3S
M.W.:
364.47
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
74.77
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3392064 Name:
SID24822345
Mol. Formula:
C14H11N3S
M.W.:
253.33
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
43.84
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3391890 Name:
SID3715042
Mol. Formula:
C16H17N5OS2
M.W.:
359.48
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
104.69
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3391713 Name:
SID3717395
Mol. Formula:
C19H18FN3O3
M.W.:
355.37
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
98.11
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3391701 Name:
SID26756220
Mol. Formula:
C32H37N3O5
M.W.:
543.66
Type:
Small molecule
AlogP:
5.14
Polar Surface Area:
89.99
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3349009 Name:
SID26750026
Mol. Formula:
C8H8LiNO5
M.W.:
205.09
Type:
Small molecule
AlogP:
-1.10
Polar Surface Area:
87.07
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3348827 Name:
SID29215012
Mol. Formula:
C24H31FO6
M.W.:
434.50
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3348820 Name:
SID29215411
Mol. Formula:
C36H49N5O8S
M.W.:
711.88
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
118.03
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3214632 Name:
SID17508900
Mol. Formula:
C26H28N4O5S
M.W.:
508.60
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
117.17
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3214630 Name:
SID17511817
Mol. Formula:
C24H24N4O2S
M.W.:
432.55
Type:
Small molecule
AlogP:
5.48
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3214617 Name:
SID17512480
Mol. Formula:
C17H16N4O2
M.W.:
308.34
Type:
Small molecule
AlogP:
1.36
Polar Surface Area:
83.45
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3214607 Name:
SID24822295
Mol. Formula:
C12H10F3N3O
M.W.:
269.23
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
61.27
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3214580 Name:
SID864411
Mol. Formula:
C25H21N5O5
M.W.:
471.47
Type:
Small molecule
AlogP:
2.34
Polar Surface Area:
120.21
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3214555 Name:
SID4264015
Mol. Formula:
C19H15NO4
M.W.:
321.33
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
68.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3214537 Name:
SID22403300
Mol. Formula:
C14H12N4O5
M.W.:
316.27
Type:
Small molecule
AlogP:
1.07
Polar Surface Area:
126.84
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3214524 Name:
SID4256275
Mol. Formula:
C12H18N4O3
M.W.:
266.30
Type:
Small molecule
AlogP:
-0.62
Polar Surface Area:
68.83
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3214520 Name:
SID24821449
Mol. Formula:
C14H15NO2
M.W.:
229.28
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
38.66
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.58
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description