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ALA3392623 Name:
SID124893880
Mol. Formula:
C17H15F2N5O3S
M.W.:
407.40
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
119.11
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3392622 Name:
SID124894509
Mol. Formula:
C20H15ClFN3O5S
M.W.:
463.87
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
115.32
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3392620 Name:
SID124894501
Mol. Formula:
C18H14ClFN4O5S2
M.W.:
484.92
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
149.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3392606 Name:
SID26755394
Mol. Formula:
C17H15NO3S
M.W.:
313.38
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3392581 Name:
SID50113244
Mol. Formula:
C15H14ClN7O3S
M.W.:
407.84
Type:
Small molecule
AlogP:
2.04
Polar Surface Area:
122.80
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3392547 Name:
SID124893566
Mol. Formula:
C14H15NO4S
M.W.:
293.34
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
64.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA3392537 Name:
SID124893940
Mol. Formula:
C22H20N2O5S
M.W.:
424.48
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
101.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3392342 Name:
SID99431128
Mol. Formula:
C20H18F2N6O3S2
M.W.:
492.53
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
129.73
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3392341 Name:
SID99431165
Mol. Formula:
C17H14N2O3S
M.W.:
326.38
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
80.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3392336 Name:
SID124898104
Mol. Formula:
C17H19NO6S
M.W.:
365.41
Type:
Small molecule
AlogP:
2.25
Polar Surface Area:
111.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3392333 Name:
SID124898358
Mol. Formula:
C20H19NO7S
M.W.:
417.44
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
121.21
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3391768 Name:
SID85302086
Mol. Formula:
C19H32O4
M.W.:
324.46
Type:
Small molecule
AlogP:
1.69
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3391766 Name:
SID85302085
Mol. Formula:
C24H40N2O4
M.W.:
420.59
Type:
Small molecule
AlogP:
2.77
Polar Surface Area:
101.65
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3391762 Name:
SID89853734
Mol. Formula:
C20H30O3
M.W.:
318.46
Type:
Small molecule
AlogP:
3.53
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3391761 Name:
SID85305142
Mol. Formula:
C19H32O3
M.W.:
308.46
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3391760 Name:
SID85149182
Mol. Formula:
C36H62O10
M.W.:
654.88
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
180.30
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3391754 Name:
SID85302054
Mol. Formula:
C23H34O6
M.W.:
406.52
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
89.90
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3391753 Name:
SID24808234
Mol. Formula:
C18H19N3OS
M.W.:
325.44
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
63.97
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA3391751 Name:
SID85305114
Mol. Formula:
C19H33NO
M.W.:
291.48
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3391750 Name:
SID85305096
Mol. Formula:
C19H30O3
M.W.:
306.45
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
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