Drug Information| Drug ID: | NPD9069 |
| Drug Name: | Dermofural |
| Molecular Formula: | C6H3Br2NO3 |
| Canonical SMILES: | Br/C(=C/c1ccc(o1)Br)/N(=O)=O |
| Standard InCHI: | InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3- |
| Standard InCHIKey: | MJPPGVVIDGQOQT-HYXAFXHYSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9069Similarity 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
| TTD | DIB005166 |
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| CAS Number |
| Molecular Weight | 294.85 |
| ALogP | 2.3229 |
| MLogP | 1.46 |
| XLogP | 3.467 |
| HDA | 0 |
| HBD | 0 |
| Rotatable Bonds | 5 |
| TPSA | 56.28 |
| RO5 Violation | 0 |