Common name
(Z)-1-methoxybut-2-ene
IUPAC name
(Z)-1-methoxybut-2-ene
SMILES
C(/C=C\C)OC
Common name
(Z)-1-methoxybut-2-ene
IUPAC name
(Z)-1-methoxybut-2-ene
SMILES
C(/C=C\C)OC
INCHI
InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3-
FORMULA
C5H10O
Common name
(Z)-1-methoxybut-2-ene
IUPAC name
(Z)-1-methoxybut-2-ene
Molecular weight
86.132
clogP
0.822
clogS
-0.784
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cwa_ligand_frag_0.mol2 | 5cwa | 0.470588 | -5.75 | O=C(O)/C=C/C | 6 |
| 1jzs_ligand_frag_0.mol2 | 1jzs | 0.470588 | -5.73 | C(=O)(O)/C=C\C | 6 |
| 3hrf_ligand_1_1.mol2 | 3hrf | 0.470588 | -5.69 | O=C(O)/C=C/C | 6 |
| 1fpp_ligand_4_8.mol2 | 1fpp | 0.470588 | -5.35 | CC/C(=C\CO)/C | 7 |
117 ,
12
