
Common name
N-methoxypropan-1-imine
IUPAC name
N-methoxypropan-1-imine
SMILES
CC/C=N\OC
Common name
N-methoxypropan-1-imine
IUPAC name
N-methoxypropan-1-imine
SMILES
CC/C=N\OC
INCHI
InChI=1S/C4H9NO/c1-3-4-5-6-2/h4H,3H2,1-2H3/b5-4-
FORMULA
C4H9NO

Common name
N-methoxypropan-1-imine
IUPAC name
N-methoxypropan-1-imine
Molecular weight
87.120
clogP
0.743
clogS
-0.789
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
0
Rotatable Bond
2
1 ,
1
FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
---|---|---|---|---|---|
1g2l_ligand_1_5.mol2 | 1g2l | 0.5 | -5.49 | O/N=C\C1CC1 | 6 |
1g30_ligand_1_5.mol2 | 1g30 | 0.5 | -5.33 | C1CC1/C=N\O | 6 |
1oyq_ligand_1_5.mol2 | 1oyq | 0.5 | -5.08 | O/N=C\C1CC1 | 6 |
3gs7_ligand_2_7.mol2 | 3gs7 | 0.428571 | -5.03 | CON=C | 4 |
3fci_ligand_2_6.mol2 | 3fci | 0.428571 | -4.85 | CON=C | 4 |
3fcf_ligand_2_5.mol2 | 3fcf | 0.428571 | -4.84 | C=NOC | 4 |
126 ,
13