Common name
ethoxy(phenyl)phosphinous acid
IUPAC name
ethoxy(phenyl)phosphinous acid
SMILES
CCOP(O)c1ccccc1
Common name
ethoxy(phenyl)phosphinous acid
IUPAC name
ethoxy(phenyl)phosphinous acid
SMILES
CCOP(O)c1ccccc1
INCHI
InChI=1S/C8H11O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t11-/m1/s1
FORMULA
C8H11O2P
Common name
ethoxy(phenyl)phosphinous acid
IUPAC name
ethoxy(phenyl)phosphinous acid
Molecular weight
170.146
clogP
2.039
clogS
-1.702
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
43.05
Number of Rings
1
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3iof_ligand_2_1.mol2 | 3iof | 0.772727 | -6.52 | C(C)(C)O[P@](=O)(O)c1ccccc1 | 13 |
| 3iof_ligand_2_2.mol2 | 3iof | 0.772727 | -6.33 | C(C)(C)O[P@](=O)(O)c1ccccc1 | 13 |
| 2xzc_ligand_2_1.mol2 | 2xzc | 0.588235 | -6.43 | OP(O)c1ccccc1 | 9 |
| 2ovz_ligand_1_8.mol2 | 2ovz | 0.588235 | -6.16 | P(O)(O)c1ccccc1 | 9 |
| 2bdf_ligand_1_4.mol2 | 2bdf | 0.588235 | -5.99 | c1ccc(cc1)P(O)O | 9 |
| 2xzc_ligand_1_0.mol2 | 2xzc | 0.558824 | -6.37 | OPc1ccccc1 | 8 |
| 3iof_ligand.mol2 | 3iof | 0.507463 | -7.45 | c1(P(=O)(OC(C)C)OC(C)C)c(cccc1)CS | 19 |
| 4dho_ligand_1_0.mol2 | 4dho | 0.487805 | -6.61 | c1(ccccc1)P(=O)(O)O | 10 |
| 4dhs_ligand_1_0.mol2 | 4dhs | 0.487805 | -6.60 | c1(ccccc1)P(=O)(O)O | 10 |
| 4dhm_ligand_1_0.mol2 | 4dhm | 0.487805 | -6.58 | c1(ccccc1)P(=O)(O)O | 10 |
245 ,
25
