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 |
|---|---|---|---|---|---|
| 1o1s_ligand_4_506.mol2 | 1o1s | 0.8 | -5.86 | C(OC)/C(=C/C)/C | 7 |
| 2chm_ligand_3_82.mol2 | 2chm | 0.666667 | -6.07 | C(=C\C)/CO | 5 |
| 1o6q_ligand_3_46.mol2 | 1o6q | 0.666667 | -5.81 | C/C=C/CO | 5 |
| 4h4e_ligand_2_12.mol2 | 4h4e | 0.666667 | -5.81 | C(=C\C)\CO | 5 |
| 1h3a_ligand_3_46.mol2 | 1h3a | 0.666667 | -5.79 | C/C=C/CO | 5 |
| 4h4d_ligand_2_12.mol2 | 4h4d | 0.666667 | -5.78 | C(/C=C\C)O | 5 |
| 1jzs_ligand_1_6.mol2 | 1jzs | 0.666667 | -5.77 | C(=O)(OC)/C=C\C | 7 |
| 1h36_ligand_3_46.mol2 | 1h36 | 0.666667 | -5.76 | OC/C=C/C | 5 |
| 3i9g_ligand_2_58.mol2 | 3i9g | 0.666667 | -5.76 | C(=C\C)/CO | 5 |
| 3if7_ligand_2_108.mol2 | 3if7 | 0.666667 | -5.73 | C(O)/C=C/C | 5 |
117 ,
12
