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ALA4528667 Name:
4-((5-(3-bromophenyl)furan-2-yl)methylene)-3-methy
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Mol. Formula:
C21H15BrN2O2
M.W.:
407.27
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
45.81
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4447199 Name:
(E)-4-(5-((3-methyl-5-oxo-1-p-tolyl-1H-pyrazol-4(5
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Mol. Formula:
C23H18N2O4
M.W.:
386.41
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
83.11
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1668300 Name:
1-(4-chlorophenyl)-5-((3-hydroxyphenylamino)methyl
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Mol. Formula:
C17H12ClN3O4
M.W.:
357.75
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
98.74
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA1668299 Name:
5-(3-methoxy-4-(2-(3-methoxyphenoxy)ethoxy)benzyli
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Mol. Formula:
C28H26N2O8
M.W.:
518.52
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
112.63
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA1668298 Name:
5-(3-ethoxy-4-(2-(naphthalen-1-yloxy)ethoxy)benzyl
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Mol. Formula:
C32H28N2O6
M.W.:
536.58
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
94.17
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA1668297 Name:
1-(4-chlorophenyl)-5-(3,4-dihydroxybenzylidene)pyr
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Mol. Formula:
C17H11ClN2O5
M.W.:
358.74
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
106.94
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1668296 Name:
3-(4-nitrobenzamido)-9,10-dioxo-9,10-dihydroanthra
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Mol. Formula:
C22H12N2O7
M.W.:
416.35
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
143.68
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1668294 Name:
3-hydroxy-N'-(1-(3-nitrobenzyl)-2-oxoindolin-3-yli
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Mol. Formula:
C26H18N4O5
M.W.:
466.45
Type:
Small molecule
AlogP:
4.13
Polar Surface Area:
125.14
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA1668293 Name:
2-(4-bromobenzamido)-5-phenylthiophene-3-carboxyli
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Mol. Formula:
C18H12BrNO3S
M.W.:
402.27
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
66.40
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1668292 Name:
2-methoxy-4-((2-(naphthalen-2-yl)-5-oxooxazol-4(5H
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Mol. Formula:
C23H17NO5
M.W.:
387.39
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
74.19
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1668290 Name:
4-(5-chloro-2-hydroxy-3-methoxybenzylidene)-1-(3-c
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Mol. Formula:
C17H11Cl2FN2O4
M.W.:
397.19
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
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