Type:
Small moleculeAlogP:
4.76Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
Small moleculeAlogP:
5.33Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
105.45HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS-
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
105.45HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
130.36HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
133.52HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
133.52HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.16Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.60Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
2.37Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA1161511
Name:
4-[4-(2-ammonioethyl)-2,6-dibromophenoxy]butan-1-aminiumMol. Formula:
C12H18Br2N2OM.W.:
366.10Type:
Small moleculeAlogP:
2.83Polar Surface Area:
61.27HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA1161510
Name:
3-[4-(2-ammonioethyl)-2,6-dichlorophenoxy]propan-1-aminiumMol. Formula:
C11H16Cl2N2OM.W.:
263.17Type:
Small moleculeAlogP:
2.22Polar Surface Area:
61.27HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
0.92Polar Surface Area:
61.27HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA1161507
Name:
2-(3,5-Dibromo-4-methoxy-phenyl)-ethyl-ammoniumMol. Formula:
C9H11Br2NOM.W.:
309.00Type:
Small moleculeAlogP:
2.72Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA1161505
Name:
2-[4-(2-ammonioethoxy)-3,5-dibromophenyl]ethanaminiumMol. Formula:
C10H14Br2N2OM.W.:
338.04Type:
Small moleculeAlogP:
2.05Polar Surface Area:
61.27HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS
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