Drug Information| Drug ID: | NPD9744 |
| Drug Name: | Calcium Carbonate |
| Molecular Formula: | CH2O3.Ca |
| Canonical SMILES: | [O-]C(=O)[O-].[Ca+2] |
| Standard InCHI: | InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 |
| Standard InCHIKey: | VTYYLEPIZMXCLO-UHFFFAOYSA-L |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9744Similarity 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 | DB06724 |
| ChEMBL | CHEMBL1200539 |
| IUPHAR/BPS | |
| PharmaGKB | PA448726 |
| KEGG Drug | D00932 |
| PubChem CID | |
| ChEBI | 3311 |
| CAS Number | 471-34-1 |
| 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 |