Common name
methyl prop-2-enoate
IUPAC name
methyl prop-2-enoate
SMILES
O(C(=O)C=C)C
Common name
methyl prop-2-enoate
IUPAC name
methyl prop-2-enoate
SMILES
O(C(=O)C=C)C
INCHI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
FORMULA
C4H6O2
Common name
methyl prop-2-enoate
IUPAC name
methyl prop-2-enoate
Molecular weight
86.089
clogP
0.273
clogS
-0.297
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01594 | Gemeprost |
|
Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics; | |
| FDBD02234 | acrinathrin |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rhr_ligand_frag_1.mol2 | 1rhr | 1 | -5.50 | C=CC(=O)OC | 6 |
| 1jzs_ligand_1_6.mol2 | 1jzs | 0.777778 | -5.77 | C(=O)(OC)/C=C\C | 7 |
| 1jzs_ligand_2_5.mol2 | 1jzs | 0.736842 | -5.94 | C(=O)(OC)C=C(C)C | 8 |
| 3f2a_ligand_frag_3.mol2 | 3f2a | 0.714286 | -5.94 | C=CC(=O)O | 5 |
120 ,
13
