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ALA5286778 Name:
methyl (2-((7-chloroquinolin-4-yl)thio)acetyl)-L-v
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Mol. Formula:
C17H19ClN2O3S
M.W.:
366.87
Type:
---
AlogP:
3.29
Polar Surface Area:
68.29
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4791008 Name:
2-(5-nitrothiophen-2-yl)-N-o-tolyl-1H-benzo[d]imid
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Mol. Formula:
C19H14N4O3S
M.W.:
378.41
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4789862 Name:
N-(3,5-dimethylphenyl)-2-(5-nitrothiophen-2-yl)-1H
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Mol. Formula:
C20H16N4O3S
M.W.:
392.44
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4756039 Name:
2-(5-nitrofuran-2-yl)-N-(3,4,5-trimethoxyphenyl)-1
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Mol. Formula:
C21H18N4O7
M.W.:
438.40
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
141.75
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5277432 Name:
methyl (2-((7-chloroquinolin-4-yl)thio)acetyl)-L-t
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Mol. Formula:
C23H20ClN3O3S
M.W.:
453.95
Type:
---
AlogP:
4.36
Polar Surface Area:
84.08
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5272933 Name:
3-(2-chloro-6-methoxyquinolin-3-yl)-1-(2,3,4-trime
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Mol. Formula:
C22H20ClNO5
M.W.:
413.86
Type:
---
AlogP:
4.82
Polar Surface Area:
66.88
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4753923 Name:
N-(2,5-dimethylphenyl)-2-(5-nitrofuran-2-yl)-1H-be
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Mol. Formula:
C20H16N4O4
M.W.:
376.37
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
114.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4753799 Name:
N-(2,5-dimethylphenyl)-2-(5-nitrothiophen-2-yl)-1H
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Mol. Formula:
C20H16N4O3S
M.W.:
392.44
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4753662 Name:
N-(2,4-dimethoxyphenyl)-2-(5-nitrofuran-2-yl)-1H-b
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Mol. Formula:
C20H16N4O6
M.W.:
408.37
Type:
Unknown
AlogP:
4.00
Polar Surface Area:
132.52
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4753223 Name:
N-(2-chlorophenyl)-2-(5-nitrothiophen-2-yl)-1H-ben
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Mol. Formula:
C18H11ClN4O3S
M.W.:
398.83
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4794786 Name:
N-(4-bromophenyl)-2-(5-nitrofuran-2-yl)-1H-benzo[d
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Mol. Formula:
C18H11BrN4O4
M.W.:
427.21
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
114.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4793469 Name:
2-(5-nitrofuran-2-yl)-N-o-tolyl-1H-benzo[d]imidazo
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Mol. Formula:
C19H14N4O4
M.W.:
362.35
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
114.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4792824 Name:
2-(5-nitrothiophen-2-yl)-N-(4-(trifluoromethyl)phe
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Mol. Formula:
C19H11F3N4O3S
M.W.:
432.38
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4558267 Name:
N-(7,8-Dichloro-4-cyano-3-trifluoromethyl-benzo[4,
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Mol. Formula:
C20H8Cl2F6N4O3S
M.W.:
569.27
Type:
Unknown
AlogP:
6.38
Polar Surface Area:
96.49
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4799962 Name:
N-(4-bromophenyl)-2-(5-nitrothiophen-2-yl)-1H-benz
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Mol. Formula:
C18H11BrN4O3S
M.W.:
443.28
Type:
Unknown
AlogP:
5.21
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4799838 Name:
2-(5-nitrothiophen-2-yl)-N-(3,4,5-trimethoxyphenyl
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Mol. Formula:
C21H18N4O6S
M.W.:
454.46
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
128.61
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4796858 Name:
N-(3,4-dimethylphenyl)-2-(5-nitrothiophen-2-yl)-1H
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Mol. Formula:
C20H16N4O3S
M.W.:
392.44
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
100.92
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4786187 Name:
N-(3-methoxyphenyl)-2-(5-nitrothiophen-2-yl)-1H-be
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Mol. Formula:
C19H14N4O4S
M.W.:
394.41
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
110.15
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4785401 Name:
N-(3-chloro-4-methoxyphenyl)-2-(5-nitrofuran-2-yl)
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Mol. Formula:
C19H13ClN4O5
M.W.:
412.79
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
123.29
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4784450 Name:
N-(3-methoxyphenyl)-2-(5-nitrofuran-2-yl)-1H-benzo
Show More⌵
Mol. Formula:
C19H14N4O5
M.W.:
378.34
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
123.29
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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