Common name
N,N-dimethylphosphonamidous acid
IUPAC name
N,N-dimethylphosphonamidous acid
SMILES
CN(C)PO
Common name
N,N-dimethylphosphonamidous acid
IUPAC name
N,N-dimethylphosphonamidous acid
SMILES
CN(C)PO
INCHI
InChI=1S/C2H8NOP/c1-3(2)5-4/h4-5H,1-2H3
FORMULA
C2H8NOP
Common name
N,N-dimethylphosphonamidous acid
IUPAC name
N,N-dimethylphosphonamidous acid
Molecular weight
93.065
clogP
-1.405
clogS
0.566
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
23.47
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02219 | mazidox |
|
Insecticide | Insecticide |
| FDBD03178 | triamiphos |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wik_ligand_1_1.mol2 | 2wik | 0.875 | -5.25 | CNPO | 4 |
| 2wik_ligand_frag_2.mol2 | 2wik | 0.5 | -5.17 | NPO | 3 |
| 2wik_ligand_2_0.mol2 | 2wik | 0.4375 | -5.84 | C(CC)NPO | 6 |
| 5tmn_ligand_2_9.mol2 | 5tmn | 0.411765 | -5.83 | [P@](=O)(O)(NC)C | 6 |
| 4tmn_ligand_2_7.mol2 | 4tmn | 0.411765 | -5.79 | C[P@@](=O)(O)NC | 6 |
| 2wig_ligand_frag_2.mol2 | 2wig | 0.363636 | -5.31 | P(=O)NC | 4 |
| 2wig_ligand.mol2 | 2wig | 0.35 | -5.92 | CCOP(O)NC | 8 |
| 2wik_ligand_3_3.mol2 | 2wik | 0.35 | -5.63 | C(C)OP(NC)O | 7 |
908 ,
91
