Common name
methyl o-tolylcarbamate
IUPAC name
methyl o-tolylcarbamate
SMILES
COC(=O)Nc1c(cccc1)C
Common name
methyl o-tolylcarbamate
IUPAC name
methyl o-tolylcarbamate
SMILES
COC(=O)Nc1c(cccc1)C
INCHI
InChI=1S/C9H11NO2/c1-7-5-3-4-6-8(7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11)
FORMULA
C9H11NO2
Common name
methyl o-tolylcarbamate
IUPAC name
methyl o-tolylcarbamate
Molecular weight
165.189
clogP
1.377
clogS
-2.299
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02985 | pyraclostrobin |
|
Fungicide | Fungicide |
| FDBD02986 | pyrametostrobin |
|
Fungicide | Fungicide |
| FDBD02987 | triclopyricarb |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4r1y_ligand_3_136.mol2 | 4r1y | 0.807692 | -7.33 | COC(=O)Nc1cc(ccc1)C | 12 |
| 4r1y_ligand_2_31.mol2 | 4r1y | 0.765957 | -7.01 | COC(=O)Nc1ccccc1 | 11 |
| 4x6o_ligand_1_9.mol2 | 4x6o | 0.765957 | -6.38 | c1ccc(cc1)NC(=O)OC | 11 |
| 4y8x_ligand_1_7.mol2 | 4y8x | 0.765957 | -6.38 | c1cccc(c1)NC(=O)OC | 11 |
| 4y8y_ligand_1_0.mol2 | 4y8y | 0.765957 | -6.37 | c1(ccccc1)NC(=O)OC | 11 |
| 4crd_ligand_1_3.mol2 | 4crd | 0.765957 | -6.29 | c1cc(ccc1)NC(=O)OC | 11 |
| 4x8v_ligand_1_5.mol2 | 4x8v | 0.765957 | -5.64 | c1cc(ccc1)NC(=O)OC | 11 |
| 4r1y_ligand_4_370.mol2 | 4r1y | 0.75 | -7.59 | C(OC(=O)Nc1cc(C)ccc1)C | 13 |
| 4r1y_ligand_3_144.mol2 | 4r1y | 0.72549 | -7.27 | C(OC(=O)Nc1ccccc1)C | 12 |
| 4r1y_ligand_2_30.mol2 | 4r1y | 0.692308 | -7.28 | c1(cc(ccc1)C)NC(=O)O | 11 |
105 ,
11
