Drug Information| Drug ID: | NPD8867 |
| Drug Name: | Aminolevulinic Acid |
| Molecular Formula: | C5H9NO3 |
| Canonical SMILES: | NCC(=O)CCC(=O)O |
| Standard InCHI: | "InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)" |
| Standard InCHIKey: | ZGXJTSGNIOSYLO-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD8867Similarity 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 | NPC101249 |
| High Similarity | 1.0 | NPC611863 |
| Remote Similarity | 0.625 | NPC7814 |
| Remote Similarity | 0.5862 | NPC326234 |
| Remote Similarity | 0.56 | NPC18188 |
| Remote Similarity | 0.56 | NPC609525 |
| Remote Similarity | 0.5385 | NPC28446 |
| Remote Similarity | 0.5385 | NPC610748 |
| Remote Similarity | 0.5172 | NPC85528 |
| Remote Similarity | 0.5172 | NPC289686 |
| Molecular Weight | 131.06 |
| ALogP | -1.3857 |
| MLogP | 1.57 |
| XLogP | -1.549 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 6 |
| TPSA | 80.39 |
| RO5 Violation | 0 |