Common name
phenoxyphosphinous acid
IUPAC name
phenoxyphosphinous acid
SMILES
c1(ccccc1)OPO
Common name
phenoxyphosphinous acid
IUPAC name
phenoxyphosphinous acid
SMILES
c1(ccccc1)OPO
INCHI
InChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h1-5,7,9H
FORMULA
C6H7O2P
Common name
phenoxyphosphinous acid
IUPAC name
phenoxyphosphinous acid
Molecular weight
142.092
clogP
0.484
clogS
-0.891
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01795 | Tenofovir alafenamide |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in the treatment of HIV infection and chronic hepatitis B. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o4o_ligand.mol2 | 1o4o | 1 | -5.52 | c1cccc(c1)OP(O)(O)O | 12 |
| 2uvm_ligand.mol2 | 2uvm | 0.666667 | -6.83 | OP(O)(O)Oc1c(OP(O)(O)O)c(OP(O)(O)O)ccc1OP(O)(O)O | 27 |
| 1a0q_ligand_3_27.mol2 | 1a0q | 0.648649 | -7.20 | C[P@](=O)(Oc1ccccc1)O | 11 |
| 1o4d_ligand.mol2 | 1o4d | 0.615385 | -6.27 | c1cccc(c1CO)OP(O)(O)O | 14 |
| 1a0q_ligand_4_35.mol2 | 1a0q | 0.545455 | -7.44 | c1c(cccc1)O[P@@](=O)(CC)O | 12 |
| 1o4e_ligand.mol2 | 1o4e | 0.545455 | -6.26 | c1c(cc(c(c1CO)OP(O)(O)O)CO)C | 17 |
| 4wr8_ligand_frag_0.mol2 | 4wr8 | 0.5 | -7.04 | c1(ccccc1)O | 7 |
| 4i7l_ligand_frag_0.mol2 | 4i7l | 0.5 | -7.03 | c1(ccccc1)O | 7 |
1129 ,
113
