ALA4745130Name:
2-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyleneamino]guanidineMol. Formula:
C15H14Cl2N4OM.W.:
337.21Type:
UnknownAlogP:
3.18Polar Surface Area:
85.99HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
122.79HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
4.43Polar Surface Area:
147.47HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
Small moleculeAlogP:
4.80Polar Surface Area:
104.33HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
122.79HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS- ALA2263547
Name:
N-nitroso-t(3)-benzyl-r(2),c(6)-di-2'-furylpiperidin-4-one oximeMol. Formula:
C21H20N2O4M.W.:
364.40Type:
Small moleculeAlogP:
4.21Polar Surface Area:
79.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA2263546
Name:
N-nitroso-t(3)-isopropyl-r(2),c(6)-di-2'-furylpiperidin-4-one oximeMol. Formula:
C17H20N2O4M.W.:
316.36Type:
Small moleculeAlogP:
3.62Polar Surface Area:
79.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2263545
Name:
N-nitroso-t(3)-ethyl-r(2),c(6)-di-2'-furylpiperidin-4-one oximeMol. Formula:
C16H18N2O4M.W.:
302.33Type:
Small moleculeAlogP:
3.37Polar Surface Area:
79.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2263544
Name:
N-Nitroso-t(3)-methyl-r(2),c(6)-di-2'-furylpiperidin-4-one oximeMol. Formula:
C15H16N2O4M.W.:
288.30Type:
Small moleculeAlogP:
2.98Polar Surface Area:
79.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2263289
Name:
(E)-3-(4-methoxyphenyl)-1-(4-morpholinophenyl)prop-2-en-1-oneMol. Formula:
C20H21NO3M.W.:
323.39Type:
Small moleculeAlogP:
3.43Polar Surface Area:
38.77HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2263288
Name:
(E)-1-(4-morpholinophenyl)-3-(3-nitrophenyl)prop-2-en-1-oneMol. Formula:
C19H18N2O4M.W.:
338.36Type:
Small moleculeAlogP:
3.33Polar Surface Area:
72.68HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
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