Common name
2-iminoethanol
IUPAC name
2-iminoethanol
SMILES
C(C=N)O
Common name
2-iminoethanol
IUPAC name
2-iminoethanol
SMILES
C(C=N)O
INCHI
InChI=1S/C2H5NO/c3-1-2-4/h1,3-4H,2H2
FORMULA
C2H5NO
Common name
2-iminoethanol
IUPAC name
2-iminoethanol
Molecular weight
59.067
clogP
-0.200
clogS
0.375
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
44.08
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03047 | triflumizole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f18_ligand_2_3.mol2 | 2f18 | 0.6 | -5.27 | C/[NH]=C/CO | 5 |
| 2f1b_ligand_2_3.mol2 | 2f1b | 0.6 | -5.22 | C(=[NH]\C)/CO | 5 |
| 2reg_ligand_1_0.mol2 | 2reg | 0.5 | -5.87 | C(O)C | 3 |
| 3c2u_ligand_1_4.mol2 | 3c2u | 0.5 | -5.81 | CCO | 3 |
| 3aje_ligand_frag_1.mol2 | 3aje | 0.5 | -5.79 | C(O)C | 3 |
| 4bt4_ligand_frag_1.mol2 | 4bt4 | 0.5 | -5.74 | C(O)C | 3 |
| 4bt5_ligand_frag_1.mol2 | 4bt5 | 0.5 | -5.74 | C(O)C | 3 |
| 4hwp_ligand_frag_0.mol2 | 4hwp | 0.5 | -5.74 | CCO | 3 |
| 3c2u_ligand_1_3.mol2 | 3c2u | 0.5 | -5.72 | CCO | 3 |
2295 ,
230
