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ALA2299388 Name:
4-chloro-2-(3-(4-chlorophenylsulfonamido)quinoxali
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Mol. Formula:
C21H14Cl2N4O4S
M.W.:
489.34
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
121.28
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2299387 Name:
3-((5-(4-(3-fluorobenzyloxy)benzylidene)-3-methyl-
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Mol. Formula:
C25H19FN2O4S
M.W.:
462.50
Type:
Small molecule
AlogP:
5.34
Polar Surface Area:
79.20
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2299386 Name:
2-chloro-5-(5-((5-(4-chlorophenyl)-2-oxofuran-3(2H
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Mol. Formula:
C22H12Cl2O5
M.W.:
427.24
Type:
Small molecule
AlogP:
5.93
Polar Surface Area:
76.74
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2296001 Name:
3-((5-(4-(4-fluorobenzyloxy)benzylidene)-3-methyl-
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Mol. Formula:
C25H19FN2O4S
M.W.:
462.50
Type:
Small molecule
AlogP:
5.34
Polar Surface Area:
79.20
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2296000 Name:
3-((3-methyl-5-(4-(3-nitrobenzyloxy)benzylidene)-4
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Mol. Formula:
C25H19N3O6S
M.W.:
489.51
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
122.34
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2295999 Name:
3-(5-((2-oxo-5-p-tolylfuran-3(2H)-ylidene)methyl)f
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Mol. Formula:
C23H16O5
M.W.:
372.38
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
76.74
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2295998 Name:
3-(5-((5-(4-chlorophenyl)-2-oxofuran-3(2H)-ylidene
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Mol. Formula:
C22H13ClO5
M.W.:
392.79
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
76.74
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2295997 Name:
4-((5-(2-(2-cyanobenzyloxy)benzylidene)-3-ethyl-4-
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Mol. Formula:
C27H21N3O4S
M.W.:
483.55
Type:
Small molecule
AlogP:
5.46
Polar Surface Area:
102.99
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA2295996 Name:
4-(2-(2-(3,5-diethylphenoxy)ethoxy)benzylidene)-1-
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Mol. Formula:
C28H28N2O4
M.W.:
456.54
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
67.87
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2295995 Name:
3-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiaz
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Cas Number:
641998-61-0
Mol. Formula:
C20H15NO4S2
M.W.:
397.48
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2295994 Name:
5-hydroxy-2-(2-(4-oxo-5-(3-phenylallylidene)-2-thi
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Mol. Formula:
C21H16N2O5S2
M.W.:
440.50
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
106.94
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2295993 Name:
3-(5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxothia
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Mol. Formula:
C17H11NO5S2
M.W.:
373.41
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
98.07
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2295992 Name:
3-(5-((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)
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Cas Number:
6237-83-8
Mol. Formula:
C22H16N4O5S2
M.W.:
480.53
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
118.57
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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