Drug Information| Drug ID: | NPD9300 |
| Drug Name: | Ethchlorvynol |
| Molecular Formula: | C7H9ClO |
| Canonical SMILES: | CCC(C#C)(C=CCl)O |
| Standard InCHI: | InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3 |
| Standard InCHIKey: | ZEHYJZXQEQOSON-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD9300Similarity 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 | 0.6304 | NPC56917 |
| Remote Similarity | 0.6047 | NPC81989 |
| Remote Similarity | 0.6042 | NPC88079 |
| Remote Similarity | 0.6042 | NPC68889 |
| Remote Similarity | 0.6042 | NPC180871 |
| Remote Similarity | 0.6042 | NPC194586 |
| Remote Similarity | 0.6042 | NPC209279 |
| Remote Similarity | 0.6042 | NPC51758 |
| Remote Similarity | 0.6042 | NPC67761 |
| Remote Similarity | 0.6042 | NPC108494 |
| Remote Similarity | 0.5778 | NPC79544 |
| Remote Similarity | 0.5745 | NPC306850 |
| Molecular Weight | 144.03 |
| ALogP | 0.5453 |
| MLogP | 2.01 |
| XLogP | 1.83 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 5 |
| TPSA | 20.23 |
| RO5 Violation | 0 |