Common name
3-hydroxy-N-methyl-propanamide
IUPAC name
3-hydroxy-N-methyl-propanamide
SMILES
C(O)CC(=O)NC
Common name
3-hydroxy-N-methyl-propanamide
IUPAC name
3-hydroxy-N-methyl-propanamide
SMILES
C(O)CC(=O)NC
INCHI
InChI=1S/C4H9NO2/c1-5-4(7)2-3-6/h6H,2-3H2,1H3,(H,5,7)
FORMULA
C4H9NO2
Common name
3-hydroxy-N-methyl-propanamide
IUPAC name
3-hydroxy-N-methyl-propanamide
Molecular weight
103.120
clogP
-0.495
clogS
-0.428
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD00671 | Tropicamide |
|
Muscarinic Antagonists; Mydriatics; Diagnostic Agents; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Indicated to induce mydriasis (dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) in diagnostic procedures, such as measurement of refractive errors and examination of the fundus of the eye. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_3_6.mol2 | 2fxu | 1 | -6.22 | [C@@H](C)(C(=O)NC)CO | 8 |
| 1a7c_ligand_3_354.mol2 | 1a7c | 1 | -5.95 | CNC(=O)CCO | 7 |
| 3hy7_ligand_4_12.mol2 | 3hy7 | 1 | -5.84 | N(C(=O)[C@@H](CO)C)C | 8 |
| 3dm6_ligand_3_540.mol2 | 3dm6 | 1 | -5.74 | C(=O)(NC)CCO | 7 |
143 ,
15
