Drug Information| Drug ID: | NPD590 |
| Drug Name: | Mephentermine |
| Molecular Formula: | C11H17N |
| Canonical SMILES: | CNC(Cc1ccccc1)(C)C |
| Standard InCHI: | "InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3" |
| Standard InCHIKey: | RXQCGGRTAILOIN-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD590Similarity 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 | 0.5357 | NPC581920 |
| Remote Similarity | 0.5357 | NPC608468 |
| Remote Similarity | 0.5217 | NPC65873 |
| Remote Similarity | 0.5217 | NPC155369 |
| TTD | DAP000898 |
| DrugBank | DB01365 |
| ChEMBL | CHEMBL1201234 |
| IUPHAR/BPS | 7222 |
| PharmaGKB | PA164745533 |
| KEGG Drug | |
| PubChem CID | 3677 |
| ChEBI | 6755 |
| CAS Number | 100-92-5 |
| Molecular Weight | 163.14 |
| ALogP | 0.5972 |
| MLogP | 2.56 |
| XLogP | 4.389 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 12.03 |
| RO5 Violation | 0 |