Drug Information| Drug ID: | NPD2181 |
| Drug Name: | |
| Molecular Formula: | C16H22O2 |
| Canonical SMILES: | CCCCCCCCC1OC(=O)c2c1cccc2 |
| Standard InCHI: | "InChI=1S/C16H22O2/c1-2-3-4-5-6-7-12-15-13-10-8-9-11-14(13)16(17)18-15/h8-11,15H,2-7,12H2,1H3" |
| Standard InCHIKey: | MYGRPRSFUHJZPY-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD2181Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 0.8824 | NPC265407 |
| High Similarity | 0.8824 | NPC83628 |
| High Similarity | 0.8824 | NPC610627 |
| High Similarity | 0.8824 | NPC611990 |
| Remote Similarity | 0.6 | NPC7012 |
| Remote Similarity | 0.6 | NPC543961 |
| Remote Similarity | 0.5833 | NPC307651 |
| Remote Similarity | 0.5833 | NPC581445 |
| Remote Similarity | 0.5238 | NPC288463 |
| Remote Similarity | 0.5217 | NPC31317 |
| Remote Similarity | 0.5217 | NPC486646 |
| Remote Similarity | 0.5217 | NPC495884 |
| Remote Similarity | 0.5217 | NPC591812 |