Drug Information| Drug ID: | NPD8178 |
| Drug Name: | Pamidronic Acid |
| Molecular Formula: | C3H11NO7P2 |
| Canonical SMILES: | NCCC(P(=O)(O)O)(P(=O)(O)O)O |
| Standard InCHI: | InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11) |
| Standard InCHIKey: | WRUUGTRCQOWXEG-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD8178Similarity 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 | 0.7273 | NPC258912 |
| Intermediate Similarity | 0.7222 | NPC292422 |
| Remote Similarity | 0.625 | NPC315977 |
| Remote Similarity | 0.6042 | NPC286989 |
| Remote Similarity | 0.5897 | NPC114517 |
| Remote Similarity | 0.5641 | NPC84444 |
| Remote Similarity | 0.5641 | NPC145217 |
| Molecular Weight | 235.00 |
| ALogP | -2.1692 |
| MLogP | 0.69 |
| XLogP | -4.656 |
| HDA | 8 |
| HBD | 6 |
| Rotatable Bonds | 10 |
| TPSA | 180.93 |
| RO5 Violation | 1 |