Drug Information| Drug ID: | NPD9474 |
| Drug Name: | Nitrofurantoin |
| Molecular Formula: | C8H6N4O5 |
| Canonical SMILES: | O=C1N=C(CN1/N=C/c1ccc(o1)N(=O)=O)O |
| Standard InCHI: | InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+ |
| Standard InCHIKey: | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9474Similarity 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 |
|---|---|---|
| Remote Similarity | 0.6333 | NPC320751 |
| Remote Similarity | 0.608 | NPC325857 |
| Remote Similarity | 0.5959 | NPC286195 |
| Remote Similarity | 0.5954 | NPC297584 |
| Remote Similarity | 0.5885 | NPC471648 |
| Remote Similarity | 0.5856 | NPC471646 |
| Remote Similarity | 0.5856 | NPC471647 |
| Remote Similarity | 0.5805 | NPC208022 |
| Remote Similarity | 0.5787 | NPC471653 |
| Remote Similarity | 0.5685 | NPC315631 |
| Remote Similarity | 0.5678 | NPC270301 |
| Remote Similarity | 0.5608 | NPC471649 |
| Remote Similarity | 0.5608 | NPC315257 |
| Remote Similarity | 0.56 | NPC288305 |
| Molecular Weight | 238.03 |
| ALogP | -0.5742 |
| MLogP | 1.35 |
| XLogP | 0.881 |
| HDA | 5 |
| HBD | 1 |
| Rotatable Bonds | 5 |
| TPSA | 121.54 |
| RO5 Violation | 0 |