Common name
6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
IUPAC name
6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILES
CC1=C(CCCO1)C(=O)N
Common name
6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
IUPAC name
6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILES
CC1=C(CCCO1)C(=O)N
INCHI
InChI=1S/C7H11NO2/c1-5-6(7(8)9)3-2-4-10-5/h2-4H2,1H3,(H2,8,9)
FORMULA
C7H11NO2
Common name
6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
IUPAC name
6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
Molecular weight
141.168
clogP
0.930
clogS
-0.930
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02936 | pyracarbolid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4n_ligand_2_10.mol2 | 2o4n | 0.183824 | -6.55 | CC1(C)OC(=CC(=O)C1)O | 10 |
| 2o4p_ligand_2_10.mol2 | 2o4p | 0.183824 | -6.51 | CC1(OC(=CC(=O)C1)O)C | 10 |
| 2o4l_ligand_2_10.mol2 | 2o4l | 0.183824 | -6.50 | CC1(OC(=CC(=O)C1)O)C | 10 |
| 2o4n_ligand_1_1.mol2 | 2o4n | 0.183824 | -6.24 | C[C@@H]1OC(=CC(=O)C1)O | 9 |
| 2o4n_ligand_1_2.mol2 | 2o4n | 0.183824 | -6.22 | C[C@H]1OC(=CC(=O)C1)O | 9 |
| 2o4l_ligand_1_1.mol2 | 2o4l | 0.183824 | -6.21 | C[C@@H]1OC(=CC(=O)C1)O | 9 |
| 2o4p_ligand_1_1.mol2 | 2o4p | 0.183824 | -6.19 | C[C@@H]1OC(=CC(=O)C1)O | 9 |
| 2o4p_ligand_1_2.mol2 | 2o4p | 0.183824 | -6.16 | O1C(=CC(=O)C[C@H]1C)O | 9 |
110 ,
12
