Drug Information| Drug ID: | NPD7386 |
| Drug Name: | Halothane |
| Molecular Formula: | C2HBrClF3 |
| Canonical SMILES: | ClC(C(F)(F)F)Br |
| Standard InCHI: | InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H |
| Standard InCHIKey: | BCQZXOMGPXTTIC-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD7386Similarity 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 | 0.7222 | NPC196796 |
| Molecular Weight | 195.89 |
| ALogP | 2.5092 |
| MLogP | 1.13 |
| XLogP | 3.156 |
| HDA | 0 |
| HBD | 0 |
| Rotatable Bonds | 6 |
| TPSA | 0 |
| RO5 Violation | 0 |