Drug Information| Drug ID: | NPD294 |
| Drug Name: | Phentermine |
| Molecular Formula: | C10H15N |
| Canonical SMILES: | CC(Cc1ccccc1)(N)C |
| Standard InCHI: | "InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3" |
| Standard InCHIKey: | DHHVAGZRUROJKS-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD294Similarity 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 | 0.6 | NPC65873 |
| Remote Similarity | 0.6 | NPC155369 |
| Remote Similarity | 0.5833 | NPC112609 |
| Remote Similarity | 0.5833 | NPC515509 |
| Remote Similarity | 0.5833 | NPC599831 |
| Remote Similarity | 0.5833 | NPC612027 |
| Remote Similarity | 0.5417 | NPC229235 |
| Remote Similarity | 0.5417 | NPC603532 |
| TTD | DAP000719 |
| DrugBank | DB00191 |
| ChEMBL | CHEMBL1574 |
| IUPHAR/BPS | 7269 |
| PharmaGKB | PA164748099 |
| KEGG Drug | D05458 |
| PubChem CID | 4771 |
| ChEBI | 8080 |
| CAS Number | 122-09-8 |
| Molecular Weight | 149.12 |
| ALogP | 0.1654 |
| MLogP | 2.45 |
| XLogP | 3.999 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 5 |
| TPSA | 26.02 |
| RO5 Violation | 0 |