Common name
N-ethyl-N'-methyl-formamidine
IUPAC name
N-ethyl-N'-methyl-formamidine
SMILES
N(C=NC)CC
Common name
N-ethyl-N'-methyl-formamidine
IUPAC name
N-ethyl-N'-methyl-formamidine
SMILES
N(C=NC)CC
INCHI
InChI=1S/C4H10N2/c1-3-6-4-5-2/h4H,3H2,1-2H3,(H,5,6)
FORMULA
C4H10N2
Common name
N-ethyl-N'-methyl-formamidine
IUPAC name
N-ethyl-N'-methyl-formamidine
Molecular weight
86.136
clogP
0.424
clogS
-1.098
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
24.39
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00374 | Cimetidine |
|
Anti-Ulcer Agents; Adjuvants; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment and the management of acid-reflux disorders (GERD), peptic ulcer disease, heartburn, and acid indigestion. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w9u_ligand_2_9.mol2 | 1w9u | 0.692308 | -5.08 | C(C)NC=[NH2] | 5 |
| 4dkt_ligand_3_83.mol2 | 4dkt | 0.6 | -5.98 | C(C)NC(=N)C | 6 |
| 3b1t_ligand_3_7.mol2 | 3b1t | 0.6 | -5.90 | CCNC(=N)C | 6 |
| 3b1u_ligand_3_7.mol2 | 3b1u | 0.6 | -5.80 | C(C)NC(=N)C | 6 |
| 4dkt_ligand_2_35.mol2 | 4dkt | 0.571429 | -5.65 | CNC(=N)C | 5 |
608 ,
61
