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ALA3212539 Name:
SID49678902
Mol. Formula:
C28H25N3O8
M.W.:
531.52
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
149.55
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1548812 Name:
SID47202028
Mol. Formula:
C15H11Cl4NO4
M.W.:
411.07
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
74.68
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1526088 Name:
SID49644794
Mol. Formula:
C21H19BrN2O5S
M.W.:
491.36
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
97.22
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1471409 Name:
SID22412549
Mol. Formula:
C15H30N4O2S
M.W.:
330.50
Type:
Small molecule
AlogP:
-0.10
Polar Surface Area:
49.00
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1467092 Name:
SID7966204
Mol. Formula:
C18H19N5O2
M.W.:
337.38
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
93.05
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1385949 Name:
SID49669584
Mol. Formula:
C21H34ClN3OS
M.W.:
412.04
Type:
Small molecule
AlogP:
5.27
Polar Surface Area:
27.74
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1369981 Name:
SID860560
Mol. Formula:
C23H27N3O3
M.W.:
393.49
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
73.74
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1313807 Name:
SID49668157
Mol. Formula:
C22H17BrO5
M.W.:
441.28
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
80.65
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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