Common name
methoxy-N-methylphosphonamidic acid
IUPAC name
methoxy-N-methylphosphonamidic acid
SMILES
O[P@](=O)(OC)NC
Common name
methoxy-N-methylphosphonamidic acid
IUPAC name
methoxy-N-methylphosphonamidic acid
SMILES
O[P@](=O)(OC)NC
INCHI
InChI=1S/C2H8NO3P/c1-3-7(4,5)6-2/h1-2H3,(H2,3,4,5)
FORMULA
C2H8NO3P
Common name
methoxy-N-methylphosphonamidic acid
IUPAC name
methoxy-N-methylphosphonamidic acid
Molecular weight
125.064
clogP
-1.227
clogS
0.153
Frequency
0.0007
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
58.56
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02203 | crufomate |
|
Insecticide | Insecticide |
| FDBD02209 | pirimetaphos |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wig_ligand.mol2 | 2wig | 0.541667 | -5.92 | CCOP(O)NC | 8 |
| 2wik_ligand_3_3.mol2 | 2wik | 0.541667 | -5.63 | C(C)OP(NC)O | 7 |
| 5tmn_ligand_2_9.mol2 | 5tmn | 0.478261 | -5.83 | [P@](=O)(O)(NC)C | 6 |
| 4tmn_ligand_2_7.mol2 | 4tmn | 0.478261 | -5.79 | C[P@@](=O)(O)NC | 6 |
| 2wij_ligand.mol2 | 2wij | 0.448276 | -6.13 | CCOP(O)NCC | 9 |
| 1p6d_ligand_3_550.mol2 | 1p6d | 0.409091 | -5.94 | CO[P@@](=O)(C)O | 6 |
| 1tmm_ligand_3_46.mol2 | 1tmm | 0.409091 | -5.42 | O(C)[P@](=O)(C)O | 6 |
| 1mjj_ligand_3_202.mol2 | 1mjj | 0.409091 | -5.39 | [P@@](=O)(O)(C)OC | 6 |
| 1mh5_ligand_3_202.mol2 | 1mh5 | 0.409091 | -5.37 | C[P@](=O)(O)OC | 6 |
296 ,
30
