ALA3274669Name:
16-(1-methyl-5-nitro-1H-imidazol-2-ylthio)hexadecanoic acidMol. Formula:
C20H35N3O4SM.W.:
413.58Type:
Small moleculeAlogP:
5.97Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.14DETAILS
ALA3274667Name:
methyl 11-(1-methyl-5-nitro-1H-imidazol-2-ylsulfonyl)undecanoateMol. Formula:
C16H27N3O6SM.W.:
389.47Type:
Small moleculeAlogP:
2.79Polar Surface Area:
121.40HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.22DETAILS
ALA3274666Name:
methyl 11-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)undecanoateMol. Formula:
C16H27N3O5SM.W.:
373.48Type:
Small moleculeAlogP:
3.12Polar Surface Area:
110.32HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.17DETAILS
ALA3274665Name:
methyl 11-(1-methyl-5-nitro-1H-imidazol-2-ylthio)undecanoateMol. Formula:
C16H27N3O4SM.W.:
357.48Type:
Small moleculeAlogP:
4.10Polar Surface Area:
87.26HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.17DETAILS
ALA3274662Name:
11-(1-methyl-1H-imidazol-2-ylthio)undecanoic acid hydrobromideMol. Formula:
C15H27BrN2O2SM.W.:
379.36Type:
Small moleculeAlogP:
4.11Polar Surface Area:
55.12HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.47DETAILS- ALA3274658
Name:
7-(1-methyl-4-nitro-1H-imidazol-2-ylthio)heptanoic acidMol. Formula:
C11H17N3O4SM.W.:
287.34Type:
Small moleculeAlogP:
2.46Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA3274655
Name:
5-(1-methyl-5-nitro-1H-imidazol-2-ylsulfonyl)pentanoic acidMol. Formula:
C9H13N3O6SM.W.:
291.29Type:
Small moleculeAlogP:
0.36Polar Surface Area:
132.40HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3274654
Name:
5-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)pentanoic acidMol. Formula:
C9H13N3O5SM.W.:
275.29Type:
Small moleculeAlogP:
0.69Polar Surface Area:
121.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3274653
Name:
5-(1-methyl-5-nitro-1H-imidazol-2-ylthio)pentanoic acidMol. Formula:
C9H13N3O4SM.W.:
259.29Type:
Small moleculeAlogP:
1.68Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3274652
Name:
3-(1-methyl-5-nitro-1H-imidazol-2-ylsulfonyl)propanoic acidMol. Formula:
C7H9N3O6SM.W.:
263.23Type:
Small moleculeAlogP:
-0.42Polar Surface Area:
132.40HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA3274651
Name:
3-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)propanoic acidMol. Formula:
C7H9N3O5SM.W.:
247.23Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
121.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3274650
Name:
3-(1-methyl-5-nitro-1H-imidazol-2-ylthio)propanoic acidMol. Formula:
C7H9N3O4SM.W.:
231.23Type:
Small moleculeAlogP:
0.90Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
5.71Polar Surface Area:
139.63HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA3274648
Name:
1-methyl-5-nitro-2-(7-(2-nitrophenoxy)heptylsulfonyl)-1H-imidazoleMol. Formula:
C17H22N4O7SM.W.:
426.45Type:
Small moleculeAlogP:
3.04Polar Surface Area:
147.47HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA3274647
Name:
1-methyl-5-nitro-2-(7-(2-nitrophenoxy)heptylsulfinyl)-1H-imidazoleMol. Formula:
C17H22N4O6SM.W.:
410.45Type:
Small moleculeAlogP:
3.37Polar Surface Area:
136.39HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA3274646
Name:
1-methyl-5-nitro-2-(7-(2-nitrophenoxy)heptylthio)-1H-imidazoleMol. Formula:
C17H22N4O5SM.W.:
394.45Type:
Small moleculeAlogP:
4.36Polar Surface Area:
113.33HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA3274645
Name:
ethyl 4-(6-(1-methyl-5-nitro-1H-imidazol-2-ylthio)hexyloxy)-3-nitrobenzoateMol. Formula:
C19H24N4O7SM.W.:
452.49Type:
Small moleculeAlogP:
4.14Polar Surface Area:
139.63HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA3274639
Name:
4-(3-(1-methyl-5-nitro-1H-imidazol-2-ylthio)propoxy)benzoic acidMol. Formula:
C14H15N3O5SM.W.:
337.36Type:
Small moleculeAlogP:
2.59Polar Surface Area:
107.49HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3274638
Name:
sodium 4-(2-(1-methyl-5-nitro-1H-imidazol-2-ylthio)ethoxy)benzoateMol. Formula:
C13H12N3NaO5SM.W.:
345.31Type:
Small moleculeAlogP:
2.20Polar Surface Area:
107.49HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3274637
Name:
4-(2-(1-methyl-5-nitro-1H-imidazol-2-ylsulfinyl)ethoxy)benzoic acidMol. Formula:
C13H13N3O6SM.W.:
339.33Type:
Small moleculeAlogP:
1.21Polar Surface Area:
130.55HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS
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