Drug Information| Drug ID: | NPD9394 |
| Drug Name: | |
| Molecular Formula: | C8H12N2 |
| Canonical SMILES: | Cc1nc(C)c(nc1C)C |
| Standard InCHI: | InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3 |
| Standard InCHIKey: | FINHMKGKINIASC-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9394Similarity 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 | NPC284039 |
| High Similarity | 1.0 | NPC603781 |
| High Similarity | 0.9091 | NPC229 |
| Remote Similarity | 0.5882 | NPC590866 |
| Remote Similarity | 0.5556 | NPC597473 |
| Remote Similarity | 0.5556 | NPC606699 |
| Remote Similarity | 0.5294 | NPC270637 |
| Remote Similarity | 0.5294 | NPC584537 |
| Remote Similarity | 0.5263 | NPC28815 |