Drug Information| Drug ID: | NPD113 |
| Drug Name: | Lanthanum carbonate |
| Molecular Formula: | 3CH2O3.2La |
| Canonical SMILES: | [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[La+3].[La+3] |
| Standard InCHI: | InChI=1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6 |
| Standard InCHIKey: | NZPIUJUFIFZSPW-UHFFFAOYSA-H |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD113Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Intermediate Similarity | 0.75 | NPC327795 |
| TTD | |
| DrugBank | DB06792 |
| ChEMBL | CHEMBL2096647 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number | 587-26-8 |
| Molecular Weight | 59.98 |
| ALogP | -1.1933 |
| MLogP | 1.24 |
| XLogP | -1.192 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 2 |
| TPSA | 63.19 |
| RO5 Violation | 0 |