Drug Information| Drug ID: | NPD642 |
| Drug Name: | |
| Molecular Formula: | C11H6O3 |
| Canonical SMILES: | O=c1ccc2c(o1)c1ccoc1cc2 |
| Standard InCHI: | InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H |
| Standard InCHIKey: | XDROKJSWHURZGO-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD642Similarity 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 | 1.0 | NPC246903 |
| Remote Similarity | 0.6279 | NPC166858 |
| Remote Similarity | 0.5957 | NPC547899 |
| Remote Similarity | 0.5833 | NPC179464 |
| Remote Similarity | 0.5625 | NPC304443 |
| Remote Similarity | 0.5455 | NPC51146 |
| Remote Similarity | 0.5455 | NPC611595 |
| Remote Similarity | 0.5417 | NPC538367 |
| Remote Similarity | 0.5306 | NPC313036 |
| Remote Similarity | 0.5306 | NPC10650 |
| Remote Similarity | 0.52 | NPC194297 |