Drug Information| Drug ID: | NPD321 |
| Drug Name: | Rilmenidine |
| Molecular Formula: | C10H16N2O |
| Canonical SMILES: | C1CN=C(O1)NC(C1CC1)C1CC1 |
| Standard InCHI: | InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12) |
| Standard InCHIKey: | CQXADFVORZEARL-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD321Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.6 | NPC110136 |
| TTD | DIB006425 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 180.13 |
| ALogP | 0.233 |
| MLogP | 2.23 |
| XLogP | 1.654 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 4 |
| TPSA | 33.62 |
| RO5 Violation | 0 |