Common name
dichloromethylphosphonic acid
IUPAC name
dichloromethylphosphonic acid
SMILES
P(=O)(O)(O)C(Cl)Cl
Common name
dichloromethylphosphonic acid
IUPAC name
dichloromethylphosphonic acid
SMILES
P(=O)(O)(O)C(Cl)Cl
INCHI
InChI=1S/CH3Cl2O3P/c2-1(3)7(4,5)6/h1H,(H2,4,5,6)
FORMULA
CH3Cl2O3P
Common name
dichloromethylphosphonic acid
IUPAC name
dichloromethylphosphonic acid
Molecular weight
164.912
clogP
1.713
clogS
-0.020
Frequency
0.0007
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00584 | Clodronate |
|
Bone Density Conservation Agents; Antihypocalcemic Agents; Bisphosphonates; | For the management of hypercalcemia of malignancy and as an adjunct in the management of osteolysis resulting from bone metastases of malignant tumors. |
| FDBD01417 | Cangrelor |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; | For use as an adjunct to percutaneous coronary intervention (PCI) for reducing the risk of periprocedural myocardial infarction (MI), repeat coronary revascularization, and stent thrombosis (ST) in patients in who have not been treated with a P2Y12 platelet inhibitor and are not being given a glycoprotein IIb/IIIa inhibitor. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pu0_ligand_1_1.mol2 | 2pu0 | 0.571429 | -6.32 | CP(=O)(O)O | 5 |
| 1oth_ligand_1_5.mol2 | 1oth | 0.571429 | -6.29 | CP(=O)(O)O | 5 |
| 2h3e_ligand_1_0.mol2 | 2h3e | 0.571429 | -6.29 | OP(=O)(O)C | 5 |
| 1d09_ligand_1_0.mol2 | 1d09 | 0.571429 | -6.28 | P(=O)(O)(O)C | 5 |
| 2ptz_ligand_1_1.mol2 | 2ptz | 0.571429 | -6.28 | CP(=O)(O)O | 5 |
| 1ebg_ligand_1_1.mol2 | 1ebg | 0.571429 | -6.23 | OP(=O)(O)C | 5 |
| 1q95_ligand_1_0.mol2 | 1q95 | 0.571429 | -6.23 | P(=O)(O)(O)C | 5 |
| 2ipo_ligand_1_0.mol2 | 2ipo | 0.571429 | -6.10 | OP(=O)(O)C | 5 |
230 ,
24
