Common name
1-ethoxy-2-methyl-propane
IUPAC name
1-ethoxy-2-methyl-propane
SMILES
C(OCC(C)C)C
Common name
1-ethoxy-2-methyl-propane
IUPAC name
1-ethoxy-2-methyl-propane
SMILES
C(OCC(C)C)C
INCHI
InChI=1S/C6H14O/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
FORMULA
C6H14O
Common name
1-ethoxy-2-methyl-propane
IUPAC name
1-ethoxy-2-methyl-propane
Molecular weight
102.175
clogP
1.256
clogS
-1.565
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hc8_ligand_4_209.mol2 | 3hc8 | 1 | -6.08 | O(CCC)CC | 6 |
| 4q1n_ligand_4_327.mol2 | 4q1n | 1 | -5.63 | C(C)COCC | 6 |
| 1lxf_ligand_4_20.mol2 | 1lxf | 1 | -5.11 | CCOCC(C)C | 7 |
| 4rhu_ligand_5_211.mol2 | 4rhu | 1 | -4.99 | C(COCC)C | 6 |
| 2yiu_ligand_3_131.mol2 | 2yiu | 0.8 | -5.97 | C(C)(C)COC | 6 |
| 4gj7_ligand_3_219.mol2 | 4gj7 | 0.8 | -5.93 | O(C)CCC | 5 |
| 2v0z_ligand_3_0.mol2 | 2v0z | 0.8 | -5.90 | C(C)COC | 5 |
| 2yiu_ligand_3_159.mol2 | 2yiu | 0.8 | -5.89 | C(C)(C)COC | 6 |
| 4ryc_ligand_3_169.mol2 | 4ryc | 0.8 | -5.89 | C(C)COC | 5 |
134 ,
14
