Common name
[ethyl(dimethyl)-λ4-azanyl]ethane
IUPAC name
[ethyl(dimethyl)-λ4-azanyl]ethane
SMILES
C(C)[N](C)(CC)C
Common name
[ethyl(dimethyl)-λ4-azanyl]ethane
IUPAC name
[ethyl(dimethyl)-λ4-azanyl]ethane
SMILES
C(C)[N](C)(CC)C
INCHI
InChI=1S/C6H16N/c1-5-7(3,4)6-2/h5-6H2,1-4H3
FORMULA
C6H16N
Common name
[ethyl(dimethyl)-λ4-azanyl]ethane
IUPAC name
[ethyl(dimethyl)-λ4-azanyl]ethane
Molecular weight
102.198
clogP
-2.090
clogS
-2.218
Frequency
0.0010
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00107 | Oxyphenonium |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of visceral spasms. |
| FDBD00795 | Methantheline |
|
Muscarinic Antagonists; Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; H2 Antagonists; | For the treatment of peptic ulcer disease, irritable bowel syndrome, pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, and reflex neurogenic bladder in children. |
| FDBD00971 | Ambenonium |
|
Anti-Arrhythmia Agents; Cholinesterase Inhibitors; Parasympathomimetics; Antimyasthenic Agents; Nervous System; Anticholinesterases; | Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis). |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jqe_ligand_4_125.mol2 | 1jqe | 1 | -6.44 | C(C)[NH+](CC)CC | 7 |
| 2q9y_ligand_4_0.mol2 | 2q9y | 1 | -6.43 | C(C)[N+](C)(CC)CC | 8 |
| 4b7z_ligand_4_31.mol2 | 4b7z | 1 | -6.40 | C(C)[NH+](CC)CC | 7 |
| 4b80_ligand_4_31.mol2 | 4b80 | 1 | -6.36 | [NH+](CC)(CC)CC | 7 |
| 4b82_ligand_4_14.mol2 | 4b82 | 1 | -6.36 | C(C)[NH+](CC)CC | 7 |
| 4b81_ligand_4_31.mol2 | 4b81 | 1 | -6.35 | [NH+](CC)(CC)CC | 7 |
| 4b85_ligand_4_14.mol2 | 4b85 | 1 | -6.33 | C(C)[NH+](CC)CC | 7 |
| 2q9y_ligand_3_6.mol2 | 2q9y | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
| 4b84_ligand_4_30.mol2 | 4b84 | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
| 4btl_ligand_4_69.mol2 | 4btl | 1 | -6.31 | [NH+](CC)(CC)CC | 7 |
237 ,
24
