Drug Information| Drug ID: | NPD9224 |
| Drug Name: | |
| Molecular Formula: | C7H15N5O4 |
| Canonical SMILES: | COC(=O)[C@H](CCCNC(=N)NN(=O)=O)N |
| Standard InCHI: | "InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1" |
| Standard InCHIKey: | KCWZGJVSDFYRIX-YFKPBYRVSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9224Similarity 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 | NPC136091 |
| High Similarity | 0.9744 | NPC601306 |
| Remote Similarity | 0.5435 | NPC601871 |
| Remote Similarity | 0.5306 | NPC108358 |
| Remote Similarity | 0.5306 | NPC331434 |
| Remote Similarity | 0.5306 | NPC602198 |
| Remote Similarity | 0.5098 | NPC609170 |