Drug Information| Drug ID: | NPD9507 |
| Drug Name: | Paracetamol |
| Molecular Formula: | C8H9NO2 |
| Canonical SMILES: | Oc1ccc(cc1)N=C(O)C |
| Standard InCHI: | "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" |
| Standard InCHIKey: | RZVAJINKPMORJF-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9507Similarity 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 | NPC76327 |
| Remote Similarity | 0.6129 | NPC575824 |
| Remote Similarity | 0.5714 | NPC307456 |
| Remote Similarity | 0.5429 | NPC258546 |
| Remote Similarity | 0.5294 | NPC497381 |
| Remote Similarity | 0.5161 | NPC264782 |
| Remote Similarity | 0.5152 | NPC255721 |
| Molecular Weight | 151.06 |
| ALogP | -0.532 |
| MLogP | 2.01 |
| XLogP | 1.666 |
| HDA | 2 |
| HBD | 2 |
| Rotatable Bonds | 4 |
| TPSA | 52.82 |
| RO5 Violation | 0 |