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ALA3197182 Name:
SID17413471
Mol. Formula:
C14H11BrFNO2
M.W.:
324.15
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
41.82
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1902933 Name:
SID92764411
Mol. Formula:
C12H11NO2S2
M.W.:
265.36
Type:
Small molecule
AlogP:
2.57
Polar Surface Area:
38.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1894226 Name:
SID92763365
Mol. Formula:
C14H29NO2
M.W.:
243.39
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1882953 Name:
SID85200204
Mol. Formula:
C14H11FN2O6
M.W.:
322.25
Type:
Small molecule
AlogP:
1.80
Polar Surface Area:
111.68
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1881729 Name:
SID57256482
Mol. Formula:
C22H20ClN3O6S
M.W.:
489.94
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
125.04
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1877591 Name:
SID89853986
Mol. Formula:
C22H21NO2
M.W.:
331.42
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1877472 Name:
SID89850945
Mol. Formula:
C17H17NO2
M.W.:
267.33
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
47.03
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1870867 Name:
SID47195308
Mol. Formula:
C17H24ClN3O3
M.W.:
353.85
Type:
Small molecule
AlogP:
4.99
Polar Surface Area:
17.82
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1867881 Name:
SID89855491
Mol. Formula:
C20H28N2O
M.W.:
312.46
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
44.95
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
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