Common name
1-methoxypropane
IUPAC name
1-methoxypropane
SMILES
CCCOC
Common name
1-methoxypropane
IUPAC name
1-methoxypropane
SMILES
CCCOC
INCHI
InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3
FORMULA
C4H10O
Common name
1-methoxypropane
IUPAC name
1-methoxypropane
Molecular weight
74.122
clogP
0.585
clogS
-1.070
Frequency
0.0062
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 |
|---|---|---|---|---|
| FDBD02361 | dimethenamid-P |
|
Herbicide | Herbicide |
| FDBD02416 | metolachlor |
|
Herbicide | Herbicide |
| FDBD02417 | S-metolachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
| FDBD02728 | mesoprazine |
|
Herbicide | Herbicide |
| FDBD02739 | methometon |
|
Herbicide | Herbicide |
| FDBD02748 | methoprotryne |
|
Herbicide | Herbicide |
| FDBD03173 | izopamfos |
|
Fungicide | Fungicide |
18 ,
2
| 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
