Drug Information| Drug ID: | NPD213 |
| Drug Name: | |
| Molecular Formula: | C10H12N4O3 |
| Canonical SMILES: | OC[C@@H]1CCC(O1)n1cnc2c1ncnc2O |
| Standard InCHI: | "InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7?/m0/s1" |
| Standard InCHIKey: | BXZVVICBKDXVGW-PKPIPKONSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD213Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.75 | NPC52238 |
| Remote Similarity | 0.6364 | NPC54320 |
| Remote Similarity | 0.6364 | NPC79321 |
| Remote Similarity | 0.6364 | NPC546842 |
| Remote Similarity | 0.5574 | NPC559744 |
| Remote Similarity | 0.5424 | NPC94454 |
| Remote Similarity | 0.5231 | NPC261595 |