ALA2287005Name:
8-carboxy-1-mercapto-3-oxooctan-2-aminium chlorideMol. Formula:
C9H18ClNO3SM.W.:
255.77Type:
Small moleculeAlogP:
0.85Polar Surface Area:
80.39HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA2286793Name:
9-methoxy-1-(methylthio)-3,9-dioxononan-2-aminium chlorideMol. Formula:
C11H22ClNO3SM.W.:
283.82Type:
Small moleculeAlogP:
1.37Polar Surface Area:
69.39HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA2286792Name:
8-carboxy-1-(methylthio)-3-oxooctan-2-aminium chlorideMol. Formula:
C10H20ClNO3SM.W.:
269.79Type:
Small moleculeAlogP:
1.28Polar Surface Area:
80.39HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA2286791Name:
9-carboxy-1-(methylthio)-4-oxononan-3-aminium chlorideMol. Formula:
C11H22ClNO3SM.W.:
283.82Type:
Small moleculeAlogP:
1.67Polar Surface Area:
80.39HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA2286790Name:
9-carboxy-2-methyl-4-oxononan-3-aminium chlorideMol. Formula:
C11H22ClNO3M.W.:
251.75Type:
Small moleculeAlogP:
1.57Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.60DETAILS-
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.55Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2286787
Name:
methyl 6-(5-(methylthiomethyl)-2-thioxoimidazolidin-4-yl)hexanoateMol. Formula:
C12H22N2O2S2M.W.:
290.45Type:
Small moleculeAlogP:
1.69Polar Surface Area:
50.36HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2286786
Name:
methyl 6-(5-(2-(methylthio)ethyl)-2-thioxoimidazolidin-4-yl)hexanoateMol. Formula:
C13H24N2O2S2M.W.:
304.48Type:
Small moleculeAlogP:
2.08Polar Surface Area:
50.36HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2286785
Name:
6-(5-Methylsulfanylmethyl-2-oxo-imidazolidin-4-yl)-hexanoic acidMol. Formula:
C11H20N2O3SM.W.:
260.36Type:
Small moleculeAlogP:
1.43Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA2286784
Name:
6-[5-(2-Methylsulfanyl-ethyl)-2-oxo-imidazolidin-4-yl]-hexanoic acidMol. Formula:
C12H22N2O3SM.W.:
274.39Type:
Small moleculeAlogP:
1.82Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2286783
Name:
6-(5-Ethyl-2-oxo-imidazolidin-4-yl)-hexanoic acidMol. Formula:
C11H20N2O3M.W.:
228.29Type:
Small moleculeAlogP:
1.48Polar Surface Area:
78.43HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.70Polar Surface Area:
78.43HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2286781
Name:
9-carboxy-1-(methylthio)nonane-3,4-diaminium chlorideMol. Formula:
C11H26Cl2N2O2SM.W.:
321.31Type:
Small moleculeAlogP:
1.43Polar Surface Area:
89.34HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.09Polar Surface Area:
89.34HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.31Polar Surface Area:
89.34HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2286778
Name:
9-carboxy-4-(hydroxyimino)-2-methylnonan-3-aminium chlorideMol. Formula:
C11H23ClN2O3M.W.:
266.77Type:
Small moleculeAlogP:
1.83Polar Surface Area:
95.91HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA2286777
Name:
9-carboxy-4-(hydroxyimino)nonan-3-aminium chlorideMol. Formula:
C10H21ClN2O3M.W.:
252.74Type:
Small moleculeAlogP:
1.59Polar Surface Area:
95.91HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA2286776
Name:
7-carboxy-2-(hydroxyimino)heptan-1-aminium chlorideMol. Formula:
C8H17ClN2O3M.W.:
224.69Type:
Small moleculeAlogP:
0.81Polar Surface Area:
95.91HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA2286775
Name:
2-(hydroxyimino)-8-methoxy-8-oxooctan-1-aminium chlorideMol. Formula:
C9H19ClN2O3M.W.:
238.72Type:
Small moleculeAlogP:
0.90Polar Surface Area:
84.91HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.21DETAILS
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