ALA4295173Name:
1,5-Bis[(4-amidino-2-aminophenyl)amino]-3-oxapentane tetrahydrochlorideMol. Formula:
C18H30Cl4N8OM.W.:
516.31Type:
Small moleculeAlogP:
0.96Polar Surface Area:
185.07HBA:
7HBD:
8#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA4294069Name:
1,5-Bis(4-amidino-2-bromo-6-methoxyphenoxy)pentane dihydrochlorideMol. Formula:
C21H28Br2Cl2N4O4M.W.:
631.19Type:
Small moleculeAlogP:
4.43Polar Surface Area:
136.66HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.17DETAILS
ALA4293637Name:
N1,N6-Dimethyl-N1,N6-bis(4-amidinophenyl)hexanediamide dihydrochlorideMol. Formula:
C22H30Cl2N6O2M.W.:
481.43Type:
Small moleculeAlogP:
2.44Polar Surface Area:
140.36HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA4290244Name:
N1,N4-Dimethyl-N1,N4-bis(4-amidinophenyl)butanediamide dihydrochlorideMol. Formula:
C20H26Cl2N6O2M.W.:
453.37Type:
Small moleculeAlogP:
1.66Polar Surface Area:
140.36HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA4289844Name:
1,5-Bis[(4-amidino-2-nitrophenyl)amino]-3-oxapentane dihydrochlorideMol. Formula:
C18H24Cl2N8O5M.W.:
503.35Type:
Small moleculeAlogP:
1.61Polar Surface Area:
219.31HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.09DETAILS-
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
155.58HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA4287714
Name:
2,2'-Oxybis[N-(4-amidinophenyl)acetamide]dihydrochlorideMol. Formula:
C18H22Cl2N6O3M.W.:
441.32Type:
Small moleculeAlogP:
0.85Polar Surface Area:
167.17HBA:
5HBD:
6#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4286166
Name:
N-Ethyl-1,5-bis(4-amidinophenoxy)-3-azapentane trihydrochlorideMol. Formula:
C20H30Cl3N5O2M.W.:
478.85Type:
Small moleculeAlogP:
2.03Polar Surface Area:
121.44HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4284514
Name:
1,5-Bis(4-amidino-2,6-dimethylphenoxy)pentane dihydrochlorideMol. Formula:
C23H34Cl2N4O2M.W.:
469.46Type:
Small moleculeAlogP:
4.12Polar Surface Area:
118.20HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4283046
Name:
1,5-Bis(4-amidinophenylthio)-3-oxapentane dihydrochlorideMol. Formula:
C18H24Cl2N4OS2M.W.:
447.46Type:
Small moleculeAlogP:
3.16Polar Surface Area:
108.97HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4281968
Name:
1,5-Bis(4-amidino-2-aminophenoxy)-3-oxapentane tetrahydrochlorideMol. Formula:
C18H28Cl4N6O3M.W.:
518.27Type:
Small moleculeAlogP:
0.89Polar Surface Area:
179.47HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA4279811
Name:
2,2'-Sulfanediylbis[N-(4-amidinophenyl)acetamide]dihydrochlorideMol. Formula:
C18H22Cl2N6O2SM.W.:
457.39Type:
Small moleculeAlogP:
1.57Polar Surface Area:
157.94HBA:
5HBD:
6#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4279583
Name:
N1,N5-Dimethyl-N1,N5-bis(4-amidinophenyl)pentanediamide dihydrochlorideMol. Formula:
C21H28Cl2N6O2M.W.:
467.40Type:
Small moleculeAlogP:
2.05Polar Surface Area:
140.36HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4279538
Name:
1,5-Bis(4-amidino-2-nitrophenoxy)-3-oxapentane dihydrochlorideMol. Formula:
C18H22Cl2N6O7M.W.:
505.32Type:
Small moleculeAlogP:
1.55Polar Surface Area:
213.71HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA4278923
Name:
1,5-Bis(4-amidino-2,6-dimethylphenoxy)-3-oxapentane dihydrochlorideMol. Formula:
C22H32Cl2N4O3M.W.:
471.43Type:
Small moleculeAlogP:
2.96Polar Surface Area:
127.43HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
3.29Polar Surface Area:
58.01HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA2311116
Name:
Cyclopropane-1,2-dicarboxylic acid bis-[(4-carbamimidoyl-phenyl)-amide]Mol. Formula:
C19H20N6O2M.W.:
364.41Type:
Small moleculeAlogP:
1.47Polar Surface Area:
157.94HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
130.43HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
1.97Polar Surface Area:
157.94HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
1.58Polar Surface Area:
157.94HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.21DETAILS
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