Common name
methoxymethylcyclopropane
IUPAC name
methoxymethylcyclopropane
SMILES
COCC1CC1
Common name
methoxymethylcyclopropane
IUPAC name
methoxymethylcyclopropane
SMILES
COCC1CC1
INCHI
InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3
FORMULA
C5H10O
Common name
methoxymethylcyclopropane
IUPAC name
methoxymethylcyclopropane
Molecular weight
86.132
clogP
1.348
clogS
-0.906
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 2yiu_ligand_4_261.mol2 | 2yiu | 0.916667 | -6.18 | CC[C@H](C)COC | 7 |
| 3gw5_ligand_4_140.mol2 | 3gw5 | 0.916667 | -5.95 | C(OC)CCC | 6 |
| 4gjd_ligand_4_209.mol2 | 4gjd | 0.916667 | -5.92 | O(C)CCCC | 6 |
| 4k43_ligand_4_931.mol2 | 4k43 | 0.916667 | -5.77 | CC[C@H](C)COC | 7 |
| 4mm9_ligand_4_0.mol2 | 4mm9 | 0.916667 | -5.68 | CCCCOC | 6 |
| 4dv8_ligand_4_145.mol2 | 4dv8 | 0.916667 | -5.67 | CCCCOC | 6 |
| 2y8c_ligand_5_450.mol2 | 2y8c | 0.916667 | -5.27 | C(COC)CC | 6 |
107 ,
11
