Drug Information| Drug ID: | NPD8224 |
| Drug Name: | Isopropyl Alcohol |
| Molecular Formula: | C3H8O |
| Canonical SMILES: | CC(O)C |
| Standard InCHI: | "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" |
| Standard InCHIKey: | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8224Similarity 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 | NPC163707 |
| High Similarity | 1.0 | NPC264395 |
| Intermediate Similarity | 0.8333 | NPC55484 |
| Intermediate Similarity | 0.8333 | NPC140389 |
| Intermediate Similarity | 0.8333 | NPC278310 |
| Intermediate Similarity | 0.8333 | NPC490682 |
| Intermediate Similarity | 0.8333 | NPC598612 |
| Intermediate Similarity | 0.7143 | NPC262129 |
| Intermediate Similarity | 0.7143 | NPC114270 |
| Intermediate Similarity | 0.7143 | NPC181988 |
| Intermediate Similarity | 0.7143 | NPC190797 |
| Intermediate Similarity | 0.7143 | NPC299484 |
| Intermediate Similarity | 0.7143 | NPC5953 |
| Intermediate Similarity | 0.7143 | NPC26329 |
| Intermediate Similarity | 0.7143 | NPC572415 |
| Intermediate Similarity | 0.7143 | NPC609584 |
| Remote Similarity | 0.6667 | NPC167387 |
| Remote Similarity | 0.6667 | NPC612034 |
| Remote Similarity | 0.6667 | NPC133103 |
| Remote Similarity | 0.6667 | NPC601178 |
| Remote Similarity | 0.6667 | NPC554251 |
| Remote Similarity | 0.625 | NPC52362 |
| Remote Similarity | 0.625 | NPC39977 |
| Remote Similarity | 0.625 | NPC68919 |
| Remote Similarity | 0.625 | NPC100112 |
| Remote Similarity | 0.625 | NPC564121 |
| Remote Similarity | 0.625 | NPC590349 |
| Remote Similarity | 0.5714 | NPC227707 |
| Remote Similarity | 0.5714 | NPC99573 |
| Remote Similarity | 0.5714 | NPC102981 |
| Remote Similarity | 0.5714 | NPC93868 |
| Remote Similarity | 0.5714 | NPC88278 |
| Remote Similarity | 0.5714 | NPC137987 |
| Remote Similarity | 0.5714 | NPC113212 |
| Remote Similarity | 0.5714 | NPC134616 |
| Remote Similarity | 0.5714 | NPC530323 |
| Remote Similarity | 0.5714 | NPC608400 |
| Remote Similarity | 0.5714 | NPC608437 |
| Remote Similarity | 0.5556 | NPC47742 |
| Remote Similarity | 0.5556 | NPC151157 |
| Remote Similarity | 0.5556 | NPC272690 |
| Remote Similarity | 0.5556 | NPC181248 |
| Remote Similarity | 0.5556 | NPC104943 |
| Remote Similarity | 0.5556 | NPC245688 |
| Remote Similarity | 0.5556 | NPC270334 |
| Remote Similarity | 0.5556 | NPC321040 |
| Remote Similarity | 0.5556 | NPC141902 |
| Remote Similarity | 0.5556 | NPC187609 |
| Remote Similarity | 0.5556 | NPC158857 |
| Remote Similarity | 0.5556 | NPC324556 |
| Remote Similarity | 0.5556 | NPC241850 |
| Remote Similarity | 0.5556 | NPC230931 |
| Remote Similarity | 0.5556 | NPC32099 |
| Remote Similarity | 0.5556 | NPC565245 |