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ALA3274669 Name:
16-(1-methyl-5-nitro-1H-imidazol-2-ylthio)hexadeca
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Mol. Formula:
C20H35N3O4S
M.W.:
413.58
Type:
Small molecule
AlogP:
5.97
Polar Surface Area:
98.26
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3274667 Name:
methyl 11-(1-methyl-5-nitro-1H-imidazol-2-ylsulfon
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Mol. Formula:
C16H27N3O6S
M.W.:
389.47
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
121.40
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3274666 Name:
methyl 11-(1-methyl-5-nitro-1H-imidazol-2-ylsulfin
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Mol. Formula:
C16H27N3O5S
M.W.:
373.48
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
110.32
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3274665 Name:
methyl 11-(1-methyl-5-nitro-1H-imidazol-2-ylthio)u
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Mol. Formula:
C16H27N3O4S
M.W.:
357.48
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
87.26
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3274662 Name:
11-(1-methyl-1H-imidazol-2-ylthio)undecanoic acid
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Mol. Formula:
C15H27BrN2O2S
M.W.:
379.36
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
55.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3274658 Name:
7-(1-methyl-4-nitro-1H-imidazol-2-ylthio)heptanoic
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Mol. Formula:
C11H17N3O4S
M.W.:
287.34
Type:
Small molecule
AlogP:
2.46
Polar Surface Area:
98.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3274655 Name:
5-(1-methyl-5-nitro-1H-imidazol-2-ylsulfonyl)penta
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Mol. Formula:
C9H13N3O6S
M.W.:
291.29
Type:
Small molecule
AlogP:
0.36
Polar Surface Area:
132.40
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3274654 Name:
5-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)penta
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Mol. Formula:
C9H13N3O5S
M.W.:
275.29
Type:
Small molecule
AlogP:
0.69
Polar Surface Area:
121.32
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3274653 Name:
5-(1-methyl-5-nitro-1H-imidazol-2-ylthio)pentanoic
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Mol. Formula:
C9H13N3O4S
M.W.:
259.29
Type:
Small molecule
AlogP:
1.68
Polar Surface Area:
98.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3274652 Name:
3-(1-methyl-5-nitro-1H-imidazol-2-ylsulfonyl)propa
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Cas Number:
50970-38-2
Mol. Formula:
C7H9N3O6S
M.W.:
263.23
Type:
Small molecule
AlogP:
-0.42
Polar Surface Area:
132.40
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3274651 Name:
3-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)propa
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Mol. Formula:
C7H9N3O5S
M.W.:
247.23
Type:
Small molecule
AlogP:
-0.09
Polar Surface Area:
121.32
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3274650 Name:
3-(1-methyl-5-nitro-1H-imidazol-2-ylthio)propanoic
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Mol. Formula:
C7H9N3O4S
M.W.:
231.23
Type:
Small molecule
AlogP:
0.90
Polar Surface Area:
98.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3274649 Name:
ethyl 4-(10-(1-methyl-5-nitro-1H-imidazol-2-ylthio
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Mol. Formula:
C23H32N4O7S
M.W.:
508.60
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
139.63
HBA:
10
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3274648 Name:
1-methyl-5-nitro-2-(7-(2-nitrophenoxy)heptylsulfon
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Mol. Formula:
C17H22N4O7S
M.W.:
426.45
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
147.47
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3274647 Name:
1-methyl-5-nitro-2-(7-(2-nitrophenoxy)heptylsulfin
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Mol. Formula:
C17H22N4O6S
M.W.:
410.45
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
136.39
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3274646 Name:
1-methyl-5-nitro-2-(7-(2-nitrophenoxy)heptylthio)-
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Mol. Formula:
C17H22N4O5S
M.W.:
394.45
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
113.33
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3274645 Name:
ethyl 4-(6-(1-methyl-5-nitro-1H-imidazol-2-ylthio)
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Mol. Formula:
C19H24N4O7S
M.W.:
452.49
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
139.63
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3274639 Name:
4-(3-(1-methyl-5-nitro-1H-imidazol-2-ylthio)propox
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Mol. Formula:
C14H15N3O5S
M.W.:
337.36
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
107.49
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3274638 Name:
sodium 4-(2-(1-methyl-5-nitro-1H-imidazol-2-ylthio
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Cas Number:
64444-68-4
Mol. Formula:
C13H12N3NaO5S
M.W.:
345.31
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
107.49
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3274637 Name:
4-(2-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)et
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Mol. Formula:
C13H13N3O6S
M.W.:
339.33
Type:
Small molecule
AlogP:
1.21
Polar Surface Area:
130.55
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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