Common name
1-methoxy-2-methyl-propane
IUPAC name
1-methoxy-2-methyl-propane
SMILES
COCC(C)C
Common name
1-methoxy-2-methyl-propane
IUPAC name
1-methoxy-2-methyl-propane
SMILES
COCC(C)C
INCHI
InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3
FORMULA
C5H12O
Common name
1-methoxy-2-methyl-propane
IUPAC name
1-methoxy-2-methyl-propane
Molecular weight
88.148
clogP
0.831
clogS
-1.134
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
2
| 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). |
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiu_ligand_3_131.mol2 | 2yiu | 1 | -5.97 | C(C)(C)COC | 6 |
| 4gj7_ligand_3_219.mol2 | 4gj7 | 1 | -5.93 | O(C)CCC | 5 |
| 2v0z_ligand_3_0.mol2 | 2v0z | 1 | -5.90 | C(C)COC | 5 |
| 2yiu_ligand_3_159.mol2 | 2yiu | 1 | -5.89 | C(C)(C)COC | 6 |
| 4ryc_ligand_3_169.mol2 | 4ryc | 1 | -5.89 | C(C)COC | 5 |
| 4rz1_ligand_3_209.mol2 | 4rz1 | 1 | -5.88 | O(C)CCC | 5 |
| 2yiu_ligand_3_155.mol2 | 2yiu | 1 | -5.87 | O(C)CC(C)C | 6 |
| 4ryg_ligand_3_267.mol2 | 4ryg | 1 | -5.87 | CCCOC | 5 |
| 3gw5_ligand_3_85.mol2 | 3gw5 | 1 | -5.84 | C(OC)CC | 5 |
| 2bkt_ligand_4_312.mol2 | 2bkt | 1 | -5.82 | O(C)CCC | 5 |
112 ,
12
