Common name
(2,6-dichloro-4-methylphenoxy)phosphinothious acid
IUPAC name
(2,6-dichloro-4-methylphenoxy)phosphinothious acid
SMILES
Cc1cc(c(c(c1)Cl)OPS)Cl
Common name
(2,6-dichloro-4-methylphenoxy)phosphinothious acid
IUPAC name
(2,6-dichloro-4-methylphenoxy)phosphinothious acid
SMILES
Cc1cc(c(c(c1)Cl)OPS)Cl
INCHI
InChI=1S/C7H7Cl2OPS/c1-4-2-5(8)7(10-11-12)6(9)3-4/h2-3,11-12H,1H3
FORMULA
C7H7Cl2OPS
Common name
(2,6-dichloro-4-methylphenoxy)phosphinothious acid
IUPAC name
(2,6-dichloro-4-methylphenoxy)phosphinothious acid
Molecular weight
241.075
clogP
2.963
clogS
-3.682
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
48.03
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03177 | tolclofos-methyl |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1okx_ligand_1_12.mol2 | 1okx | 0.604167 | -5.59 | c1(cc(Cl)c(cc1)O)C | 9 |
| 4lk6_ligand_2_9.mol2 | 4lk6 | 0.604167 | -5.50 | c1(cc(Cl)c(cc1)O)C | 9 |
| 1g3m_ligand.mol2 | 1g3m | 0.54386 | -8.89 | Clc1cc(cc(Cl)c1O)c1cc(Cl)c(O)c(Cl)c1 | 19 |
| 2g5u_ligand.mol2 | 2g5u | 0.54386 | -8.54 | Oc1c(Cl)cc(cc1Cl)c1cc(c(c(c1)Cl)O)Cl | 19 |
| 4mw2_ligand_1_5.mol2 | 4mw2 | 0.54 | -6.94 | Cc1c(ccc(c1)Cl)O | 9 |
143 ,
15
