Compounds

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ALA1727628
Name:
SID51090331
Mol. Formula:
C23H25N3O5S
M.W.:
455.54
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
108.83
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1724454
Name:
SID92763759
Mol. Formula:
C16H16N2O2
M.W.:
268.32
82 activity values
75 unique targets
Type:
Small molecule
AlogP:
3.19
Polar Surface Area:
66.24
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1710115
Name:
SID26659097
Mol. Formula:
C17H19N3O3
M.W.:
313.36
8 activity values
6 unique targets
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
81.27
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1708765
Name:
SID26664260
Mol. Formula:
C19H15N3O2
M.W.:
317.35
12 activity values
9 unique targets
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
56.89
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1707907
Name:
SID87335448
Mol. Formula:
C18H22O3
M.W.:
286.37
29 activity values
23 unique targets
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1706640
Name:
SID87336083
Mol. Formula:
C9H10O5
M.W.:
198.17
21 activity values
13 unique targets
Type:
Small molecule
AlogP:
0.17
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA1385561
Name:
SID47199964
Mol. Formula:
C14H14N4O2S
M.W.:
302.36
9 activity values
8 unique targets
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
69.38
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE