Drug Information| Drug ID: | NPD9088 |
| Drug Name: | Hydroquinone |
| Molecular Formula: | C6H6O2 |
| Canonical SMILES: | Oc1ccc(cc1)O |
| Standard InCHI: | "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" |
| Standard InCHIKey: | QIGBRXMKCJKVMJ-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9088Similarity 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 | NPC65517 |
| High Similarity | 1.0 | NPC611929 |
| Intermediate Similarity | 0.7273 | NPC599879 |
| Remote Similarity | 0.5714 | NPC288923 |
| Remote Similarity | 0.5385 | NPC270094 |
| Remote Similarity | 0.5385 | NPC599902 |
| Remote Similarity | 0.5333 | NPC295589 |
| Remote Similarity | 0.5333 | NPC498565 |
| Remote Similarity | 0.5333 | NPC606422 |
| Molecular Weight | 110.04 |
| ALogP | -0.9206 |
| MLogP | 1.9 |
| XLogP | 0.87 |
| HDA | 0 |
| HBD | 2 |
| Rotatable Bonds | 2 |
| TPSA | 40.46 |
| RO5 Violation | 0 |