Common name
N-[2-(methylamino)-2-oxo-ethyl]propanamide
IUPAC name
N-[2-(methylamino)-2-oxo-ethyl]propanamide
SMILES
CCC(=O)NCC(=O)NC
Common name
N-[2-(methylamino)-2-oxo-ethyl]propanamide
IUPAC name
N-[2-(methylamino)-2-oxo-ethyl]propanamide
SMILES
CCC(=O)NCC(=O)NC
INCHI
InChI=1S/C6H12N2O2/c1-3-5(9)8-4-6(10)7-2/h3-4H2,1-2H3,(H,7,10)(H,8,9)
FORMULA
C6H12N2O2
Common name
N-[2-(methylamino)-2-oxo-ethyl]propanamide
IUPAC name
N-[2-(methylamino)-2-oxo-ethyl]propanamide
Molecular weight
144.172
clogP
-0.262
clogS
-1.441
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_6_62.mol2 | 1mnc | 1 | -6.89 | C[C@@H](C(=O)NC)NC(=O)C(C)C | 12 |
| 1rm8_ligand_6_825.mol2 | 1rm8 | 1 | -6.84 | C(=O)(N[C@H](C(=O)NC)C)C(C)C | 12 |
| 1a7c_ligand_4_967.mol2 | 1a7c | 1 | -6.75 | C(=O)(NCC(=O)NC)CC | 10 |
| 4gr3_ligand_7_426.mol2 | 4gr3 | 1 | -6.70 | [C@H](C(=O)NC)(NC(=O)C(C)C)C | 12 |
| 1dth_ligand_6_462.mol2 | 1dth | 1 | -6.68 | CC(C)C(=O)N[C@H](C(=O)NC)C | 12 |
| 1izh_ligand_7_26035.mol2 | 1izh | 1 | -6.66 | N(C(=O)C(C)C)[C@H](C(=O)NC)C | 12 |
| 1mnc_ligand_5_75.mol2 | 1mnc | 1 | -6.64 | CC(C)C(=O)NCC(=O)NC | 11 |
| 3d91_ligand_7_8129.mol2 | 3d91 | 1 | -6.62 | C[C@H](NC(=O)C(C)C)C(=O)NC | 12 |
| 4gql_ligand_7_646.mol2 | 4gql | 1 | -6.60 | CC(C(=O)N[C@H](C(=O)NC)C)C | 12 |
412 ,
42
