Drug Information| Drug ID: | NPD9748 |
| Drug Name: | Sodium Bicarbonate |
| Molecular Formula: | CH2O3.Na |
| Canonical SMILES: | [O-]C(=O)O.[Na+] |
| Standard InCHI: | "InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1" |
| Standard InCHIKey: | UIIMBOGNXHQVGW-UHFFFAOYSA-M |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9748Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 0.875 | NPC327796 |
| Remote Similarity | 0.6364 | NPC184782 |
| Remote Similarity | 0.6 | NPC150958 |
| Remote Similarity | 0.6 | NPC68873 |
| Remote Similarity | 0.6 | NPC323500 |
| Remote Similarity | 0.5556 | NPC300325 |
| Remote Similarity | 0.5556 | NPC251720 |
| Remote Similarity | 0.5556 | NPC159900 |
| Remote Similarity | 0.5556 | NPC8159 |
| Remote Similarity | 0.5556 | NPC606409 |
| Molecular Weight | 60.99 |
| ALogP | -0.5155 |
| MLogP | 1.24 |
| XLogP | -0.711 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 2 |
| TPSA | 60.36 |
| RO5 Violation | 0 |