Drug Information| Drug ID: | NPD9537 |
| Drug Name: | Fluorodopa F 18 |
| Molecular Formula: | C9H10FNO4 |
| Canonical SMILES: | OC(=O)C(Cc1cc(O)c(cc1[18F])O)N |
| Standard InCHI: | "InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/i10-1" |
| Standard InCHIKey: | PAXWQORCRCBOCU-LMANFOLPSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9537Similarity 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 | 0.5476 | NPC161593 |
| Remote Similarity | 0.5476 | NPC145888 |
| Remote Similarity | 0.5476 | NPC16031 |
| Remote Similarity | 0.5476 | NPC611403 |
| Remote Similarity | 0.5349 | NPC517038 |
| Remote Similarity | 0.5116 | NPC142638 |
| Remote Similarity | 0.5116 | NPC317784 |
| Remote Similarity | 0.5116 | NPC607358 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 215.06 |
| ALogP | -1.5253 |
| MLogP | 1.79 |
| XLogP | -2.152 |
| HDA | 3 |
| HBD | 4 |
| Rotatable Bonds | 8 |
| TPSA | 103.78 |
| RO5 Violation | 0 |