Common name
1-morpholinoprop-2-en-1-one
IUPAC name
1-morpholinoprop-2-en-1-one
SMILES
C=CC(=O)N1CCOCC1
Common name
1-morpholinoprop-2-en-1-one
IUPAC name
1-morpholinoprop-2-en-1-one
SMILES
C=CC(=O)N1CCOCC1
INCHI
1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2
FORMULA
C7H11NO2
Common name
1-morpholinoprop-2-en-1-one
IUPAC name
1-morpholinoprop-2-en-1-one
Molecular weight
141.168
clogP
0.947
clogS
-0.435
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
29.54
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03161 | dimethomorph |
|
Fungicide | Fungicide |
| FDBD03164 | flumorph |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3e2m_ligand_frag_8.mol2 | 3e2m | 1 | -6.15 | C=CC(=O)N1CCOCC1 | 10 |
| 3bqn_ligand_frag_8.mol2 | 3bqn | 1 | -5.78 | C=CC(=O)N1CCOCC1 | 10 |
| 4y8y_ligand_1_7.mol2 | 4y8y | 0.794118 | -5.41 | CC(=O)N1CCOCC1 | 9 |
| 3cj5_ligand_1_0.mol2 | 3cj5 | 0.794118 | -5.13 | CC(=O)N1CCOCC1 | 9 |
| 4gmc_ligand_1_3.mol2 | 4gmc | 0.794118 | -5.06 | CC(=O)N1CCOCC1 | 9 |
| 4egh_ligand_frag_0.mol2 | 4egh | 0.735294 | -5.90 | O=CN1CCOCC1 | 8 |
| 2xht_ligand_frag_2.mol2 | 2xht | 0.735294 | -5.87 | C(=O)N1CCOCC1 | 8 |
| 2uwp_ligand_frag_5.mol2 | 2uwp | 0.735294 | -5.72 | C(=O)N1CCOCC1 | 8 |
| 2uwo_ligand_frag_4.mol2 | 2uwo | 0.735294 | -5.71 | C(=O)N1CCOCC1 | 8 |
101 ,
11
