Common name
(E)-but-2-enoic acid
IUPAC name
(E)-but-2-enoic acid
SMILES
O=C(O)C=CC
Common name
(E)-but-2-enoic acid
IUPAC name
(E)-but-2-enoic acid
SMILES
O=C(O)C=CC
INCHI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
FORMULA
C4H6O2
Common name
(E)-but-2-enoic acid
IUPAC name
(E)-but-2-enoic acid
Molecular weight
86.089
clogP
-0.046
clogS
0.375
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01741 | Limaprost |
|
; | Limaprost is used for the improvement of various ischemic symptoms such as ulcer, pain and feeling of coldness associated with thromboangiitis obliterans as well as improvement of subjective symptoms (pain and numbness of lower legs) and gait ability associated with acquired lumbar spinal canal stenosis (in patients with bilateral intermittent claudication showing normal SLR test result). |
| FDBD03100 | meptyldinocap |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_2_0.mol2 | 5d1w | 1 | -6.16 | C/C=C/C(=O)O | 6 |
| 4tkb_ligand_2_0.mol2 | 4tkb | 1 | -6.05 | C/C=C/C(=O)O | 6 |
| 4tkh_ligand_2_0.mol2 | 4tkh | 1 | -6.05 | C(=C\C(=O)O)/C | 6 |
| 1hmt_ligand_2_0.mol2 | 1hmt | 1 | -6.01 | C(=O)(O)/C=C/C | 6 |
| 1hmr_ligand_2_0.mol2 | 1hmr | 1 | -5.97 | C/C=C/C(=O)O | 6 |
| 5cwa_ligand_frag_0.mol2 | 5cwa | 1 | -5.75 | O=C(O)/C=C/C | 6 |
| 1jzs_ligand_frag_0.mol2 | 1jzs | 1 | -5.73 | C(=O)(O)/C=C\C | 6 |
| 3hrf_ligand_1_1.mol2 | 3hrf | 1 | -5.69 | O=C(O)/C=C/C | 6 |
113 ,
12
