Drug Information| Drug ID: | NPD8975 |
| Drug Name: | |
| Molecular Formula: | C6H11O7P |
| Canonical SMILES: | OOP(CC(C(=O)O)CCC(=O)O)O |
| Standard InCHI: | "InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(12)13-11/h4,11-12H,1-3H2,(H,7,8)(H,9,10)" |
| Standard InCHIKey: | HKANXFJUBKMWSW-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8975Similarity 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 |
|---|---|---|
| Remote Similarity | 0.5333 | NPC317712 |