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 |
|---|---|---|---|---|---|
| 2hob_ligand_1_14.mol2 | 2hob | 0.642857 | -5.36 | COC(=O)C | 5 |
| 2wec_ligand_frag_8.mol2 | 2wec | 0.642857 | -5.36 | CC(=O)OC | 5 |
| 4zwy_ligand_frag_1.mol2 | 4zwy | 0.642857 | -5.36 | COC(=O)C | 5 |
| 3fc8_ligand_frag_4.mol2 | 3fc8 | 0.642857 | -5.35 | CC(=O)OC | 5 |
| 1ezq_ligand_frag_4.mol2 | 1ezq | 0.642857 | -5.33 | CC(=O)OC | 5 |
| 1ppl_ligand_frag_13.mol2 | 1ppl | 0.642857 | -5.33 | CC(=O)OC | 5 |
| 1hbv_ligand_frag_11.mol2 | 1hbv | 0.642857 | -5.32 | CC(=O)OC | 5 |
| 2j7e_ligand_frag_0.mol2 | 2j7e | 0.642857 | -5.32 | CC(=O)OC | 5 |
| 2xow_ligand_frag_1.mol2 | 2xow | 0.642857 | -5.31 | CC(=O)OC | 5 |
120 ,
13
