Common name
(E,4S)-4-hydroxypent-2-enoic acid
IUPAC name
(E,4S)-4-hydroxypent-2-enoic acid
SMILES
O[C@@H](C)/C=C/C(=O)O
Common name
(E,4S)-4-hydroxypent-2-enoic acid
IUPAC name
(E,4S)-4-hydroxypent-2-enoic acid
SMILES
O[C@@H](C)/C=C/C(=O)O
INCHI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+/t4-/m0/s1
FORMULA
C5H8O3
Common name
(E,4S)-4-hydroxypent-2-enoic acid
IUPAC name
(E,4S)-4-hydroxypent-2-enoic acid
Molecular weight
116.115
clogP
-0.311
clogS
0.850
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02615 | difenopenten |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_3_0.mol2 | 5d1w | 0.947368 | -6.38 | CC/C=C/C(=O)O | 7 |
| 4tkb_ligand_3_0.mol2 | 4tkb | 0.947368 | -6.17 | CC/C=C/C(=O)O | 7 |
| 4tkh_ligand_3_0.mol2 | 4tkh | 0.947368 | -6.17 | C(=C\C(=O)O)/CC | 7 |
| 1hmt_ligand_3_0.mol2 | 1hmt | 0.947368 | -6.12 | C(=O)(O)/C=C/CC | 7 |
| 3hrf_ligand_2_3.mol2 | 3hrf | 0.947368 | -5.74 | O=C(O)/C=C/CC | 7 |
| 4tkb_ligand_4_0.mol2 | 4tkb | 0.75 | -6.34 | CCC/C=C/C(=O)O | 8 |
102 ,
11
