Common name
ethoxymethylcyclopropane
IUPAC name
ethoxymethylcyclopropane
SMILES
CCOCC1CC1
Common name
ethoxymethylcyclopropane
IUPAC name
ethoxymethylcyclopropane
SMILES
CCOCC1CC1
INCHI
InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3
FORMULA
C6H12O
Common name
ethoxymethylcyclopropane
IUPAC name
ethoxymethylcyclopropane
Molecular weight
100.159
clogP
1.649
clogS
-1.338
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00084 | Betaxolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; EENT Preparations; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension. |
| FDBD01823 | Levobetaxolol |
|
; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ybt_ligand_1_0.mol2 | 4ybt | 0.8125 | -5.65 | C[C@H]1CCOC1 | 6 |
| 4mb9_ligand_1_4.mol2 | 4mb9 | 0.8125 | -5.54 | C[C@@H]1CCOC1 | 6 |
| 1yqy_ligand_1_3.mol2 | 1yqy | 0.777778 | -5.95 | C1(CCOCC1)C | 7 |
| 4man_ligand_1_9.mol2 | 4man | 0.777778 | -5.82 | CC1CCOCC1 | 7 |
| 830c_ligand_1_4.mol2 | 830c | 0.777778 | -5.61 | CC1CCOCC1 | 7 |
| 966c_ligand_1_4.mol2 | 966c | 0.777778 | -5.53 | C1(CCOCC1)C | 7 |
108 ,
11
