Common name
(Z)-but-2-en-1-ol
IUPAC name
(Z)-but-2-en-1-ol
SMILES
C(/C=C\C)O
Common name
(Z)-but-2-en-1-ol
IUPAC name
(Z)-but-2-en-1-ol
SMILES
C(/C=C\C)O
INCHI
InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-
FORMULA
C4H8O
Common name
(Z)-but-2-en-1-ol
IUPAC name
(Z)-but-2-en-1-ol
Molecular weight
72.106
clogP
0.257
clogS
-0.047
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2chm_ligand_3_82.mol2 | 2chm | 1 | -6.07 | C(=C\C)/CO | 5 |
| 1o6q_ligand_3_46.mol2 | 1o6q | 1 | -5.81 | C/C=C/CO | 5 |
| 4h4e_ligand_2_12.mol2 | 4h4e | 1 | -5.81 | C(=C\C)\CO | 5 |
| 1h3a_ligand_3_46.mol2 | 1h3a | 1 | -5.79 | C/C=C/CO | 5 |
| 4h4d_ligand_2_12.mol2 | 4h4d | 1 | -5.78 | C(/C=C\C)O | 5 |
| 1h36_ligand_3_46.mol2 | 1h36 | 1 | -5.76 | OC/C=C/C | 5 |
| 3i9g_ligand_2_58.mol2 | 3i9g | 1 | -5.76 | C(=C\C)/CO | 5 |
| 3if7_ligand_2_108.mol2 | 3if7 | 1 | -5.73 | C(O)/C=C/C | 5 |
| 4tq3_ligand_2_0.mol2 | 4tq3 | 1 | -5.69 | C(O)/C=C\C | 5 |
| 2q80_ligand_2_81.mol2 | 2q80 | 1 | -5.68 | OC/C=C\C | 5 |
107 ,
11
