Common name
methyl 2-methylprop-2-enoate
IUPAC name
methyl 2-methylprop-2-enoate
SMILES
C=C(C(=O)OC)C
Common name
methyl 2-methylprop-2-enoate
IUPAC name
methyl 2-methylprop-2-enoate
SMILES
C=C(C(=O)OC)C
INCHI
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
FORMULA
C5H8O2
Common name
methyl 2-methylprop-2-enoate
IUPAC name
methyl 2-methylprop-2-enoate
Molecular weight
100.116
clogP
0.508
clogS
-0.711
Frequency
0.0017
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 |
|---|---|---|---|---|
| FDBD01856 | cinerin II |
|
Insecticide | Insecticide |
| FDBD01858 | jasmolin II |
|
Insecticide | Insecticide |
| FDBD01860 | pyrethrin II |
|
Insecticide | Insecticide |
| FDBD02100 | methacrifos |
|
Insecticide | Insecticide |
| FDBD02290 | pyresmethrin |
|
Insecticide | Insecticide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rhr_ligand_frag_1.mol2 | 1rhr | 0.777778 | -5.50 | C=CC(=O)OC | 6 |
| 1sqq_ligand_frag_0.mol2 | 1sqq | 0.722222 | -5.98 | CCC(=O)OC | 6 |
| 1sqb_ligand_frag_3.mol2 | 1sqb | 0.722222 | -5.95 | CCC(=O)OC | 6 |
| 4nwc_ligand_1_3.mol2 | 4nwc | 0.722222 | -5.86 | CCC(=O)OC | 6 |
| 1p6d_ligand_2_75.mol2 | 1p6d | 0.722222 | -5.85 | COC(=O)CC | 6 |
| 4djp_ligand_1_1.mol2 | 4djp | 0.722222 | -5.84 | C(C)(C(=O)OC)C | 7 |
| 3is9_ligand_2_35.mol2 | 3is9 | 0.722222 | -5.78 | CCC(=O)OC | 6 |
| 1p6e_ligand_2_55.mol2 | 1p6e | 0.722222 | -5.76 | COC(=O)CC | 6 |
| 3e3c_ligand_2_22.mol2 | 3e3c | 0.722222 | -5.76 | CCC(=O)OC | 6 |
| 4wn5_ligand_2_133.mol2 | 4wn5 | 0.722222 | -5.73 | CCC(=O)OC | 6 |
132 ,
14
