Common name
N-ethyl-3-hydroxy-propanamide
IUPAC name
N-ethyl-3-hydroxy-propanamide
SMILES
O=C(NCC)CCO
Common name
N-ethyl-3-hydroxy-propanamide
IUPAC name
N-ethyl-3-hydroxy-propanamide
SMILES
O=C(NCC)CCO
INCHI
InChI=1S/C5H11NO2/c1-2-6-5(8)3-4-7/h7H,2-4H2,1H3,(H,6,8)
FORMULA
C5H11NO2
Common name
N-ethyl-3-hydroxy-propanamide
IUPAC name
N-ethyl-3-hydroxy-propanamide
Molecular weight
117.146
clogP
-0.132
clogS
-0.854
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_4_69.mol2 | 2fxu | 1 | -6.46 | C(C)NC(=O)[C@@H](C)CO | 9 |
| 1w6h_ligand_3_600.mol2 | 1w6h | 1 | -6.04 | C(C(=O)NCC)CO | 8 |
| 4j7i_ligand_4_1886.mol2 | 4j7i | 1 | -5.90 | CCNC(=O)CCO | 8 |
| 5e8f_ligand_4_3162.mol2 | 5e8f | 1 | -5.77 | C(O)CC(=O)NCC | 8 |
| 1w10_ligand_3_200.mol2 | 1w10 | 1 | -5.66 | C(O)CC(=O)NCC | 8 |
| 1w14_ligand_3_244.mol2 | 1w14 | 1 | -5.64 | C(C)NC(=O)CCO | 8 |
118 ,
12
