
Common name
N-ethoxymethanamine
IUPAC name
N-ethoxymethanamine
SMILES
O(NC)CC
Common name
N-ethoxymethanamine
IUPAC name
N-ethoxymethanamine
SMILES
O(NC)CC
INCHI
InChI=1S/C3H9NO/c1-3-5-4-2/h4H,3H2,1-2H3
FORMULA
C3H9NO

Common name
N-ethoxymethanamine
IUPAC name
N-ethoxymethanamine
Molecular weight
76.118
clogP
-0.041
clogS
-0.726
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
25.84
Number of Rings
0
Rotatable Bond
2
1 ,
1
FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
---|---|---|---|---|---|
3bel_ligand_3_81.mol2 | 3bel | 1 | -5.13 | O([NH2+]C)CC | 5 |
4czs_ligand_3_3.mol2 | 4czs | 1 | -5.03 | C(C)O[NH2+]C | 5 |
4czs_ligand_4_2.mol2 | 4czs | 0.769231 | -4.76 | OCCO[NH2+]C | 6 |
4x69_ligand_2_4.mol2 | 4x69 | 0.666667 | -5.43 | C(C)ONC=O | 6 |
2on3_ligand_2_2.mol2 | 2on3 | 0.6 | -5.68 | CCO[NH3+] | 4 |
3dz5_ligand_2_0.mol2 | 3dz5 | 0.6 | -5.55 | CCO[NH3+] | 4 |
1i72_ligand_2_0.mol2 | 1i72 | 0.6 | -5.52 | C(O[NH3+])C | 4 |
3dz6_ligand_2_6.mol2 | 3dz6 | 0.6 | -5.43 | C(C)O[NH3+] | 4 |
4mm9_ligand_2_39.mol2 | 4mm9 | 0.6 | -5.23 | CO[NH2+]C | 4 |
2339 ,
234