Drug Information| Drug ID: | NPD1432 |
| Drug Name: | |
| Molecular Formula: | C14H22O |
| Canonical SMILES: | CC(c1ccc(cc1)O)(CC(C)(C)C)C |
| Standard InCHI: | "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3" |
| Standard InCHIKey: | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD1432Similarity 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 | NPC316301 |
| High Similarity | 0.8519 | NPC142227 |
| Intermediate Similarity | 0.76 | NPC27323 |
| Remote Similarity | 0.5556 | NPC325827 |
| Remote Similarity | 0.5312 | NPC152415 |