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ALA4802128 Name:
Cas Number:
1231958-25-0
Mol. Formula:
C11H18IN3O
M.W.:
335.19
Type:
Unknown
AlogP:
1.16
Polar Surface Area:
29.12
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.59
DETAILS
CLOSE
ALA4802127 Name:
Cas Number:
548763-35-5
Mol. Formula:
C10H16IN3O
M.W.:
321.16
Type:
Unknown
AlogP:
0.77
Polar Surface Area:
29.12
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.56
DETAILS
CLOSE
ALA4802126 Name:
Cas Number:
433302-49-9
Mol. Formula:
C9H14IN3O
M.W.:
307.14
Type:
Unknown
AlogP:
0.38
Polar Surface Area:
29.12
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.53
DETAILS
CLOSE
ALA4802118 Name:
Mol. Formula:
C12H15FN2O3S
M.W.:
286.33
Type:
Unknown
AlogP:
0.19
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4802117 Name:
Mol. Formula:
C13H18N2O4S
M.W.:
298.36
Type:
Unknown
AlogP:
0.06
Polar Surface Area:
67.87
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4802113 Name:
Mol. Formula:
C16H23N3O
M.W.:
273.38
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
45.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA4800443 Name:
Mol. Formula:
C10H10N4OS
M.W.:
234.28
Type:
Unknown
AlogP:
0.93
Polar Surface Area:
60.14
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4800325 Name:
Mol. Formula:
C11H11N3O3S2
M.W.:
297.36
Type:
Unknown
AlogP:
1.33
Polar Surface Area:
65.71
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4800205 Name:
Mol. Formula:
C11H16ClNO3
M.W.:
245.71
Type:
Unknown
AlogP:
1.68
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4799692 Name:
Mol. Formula:
C12H19N3O3S
M.W.:
285.37
Type:
Unknown
AlogP:
1.22
Polar Surface Area:
81.06
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4799080 Name:
Mol. Formula:
C15H20N2O2S
M.W.:
292.40
Type:
Unknown
AlogP:
2.39
Polar Surface Area:
40.62
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA4797890 Name:
Mol. Formula:
C13H13N3O3S
M.W.:
291.33
Type:
Unknown
AlogP:
0.69
Polar Surface Area:
86.68
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4797825 Name:
Mol. Formula:
C14H25N3O2
M.W.:
267.37
Type:
Unknown
AlogP:
0.67
Polar Surface Area:
61.44
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4796583 Name:
Mol. Formula:
C12H15N7O
M.W.:
273.30
Type:
Unknown
AlogP:
0.06
Polar Surface Area:
104.65
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4794617 Name:
Mol. Formula:
C14H21N3O2S
M.W.:
295.41
Type:
Unknown
AlogP:
0.91
Polar Surface Area:
66.64
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4794115 Name:
Mol. Formula:
C12H16O4S2
M.W.:
288.39
Type:
Unknown
AlogP:
1.16
Polar Surface Area:
68.28
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4793295 Name:
Mol. Formula:
C13H16N4OS2
M.W.:
308.43
Type:
Unknown
AlogP:
2.65
Polar Surface Area:
70.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4792936 Name:
Mol. Formula:
C13H17ClN2O2S
M.W.:
300.81
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
63.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA4792866 Name:
Mol. Formula:
C13H15N3OS
M.W.:
261.35
Type:
Unknown
AlogP:
2.11
Polar Surface Area:
50.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4791948 Name:
Mol. Formula:
C12H15NO3
M.W.:
221.26
Type:
Unknown
AlogP:
1.59
Polar Surface Area:
61.55
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
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