Drug Information| Drug ID: | NPD390 |
| Drug Name: | Propylhexedrine |
| Molecular Formula: | C10H21N |
| Canonical SMILES: | CNC(CC1CCCCC1)C |
| Standard InCHI: | InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3 |
| Standard InCHIKey: | JCRIVQIOJSSCQD-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; DrugBank |
Structural Similarity Between NPASS Natural Products and NPD390Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7907 | NPC15231 |
| Intermediate Similarity | 0.7857 | NPC167301 |
| Intermediate Similarity | 0.7619 | NPC473035 |
| Intermediate Similarity | 0.7143 | NPC203203 |
| Remote Similarity | 0.6667 | NPC313882 |
| Remote Similarity | 0.65 | NPC469970 |
| Remote Similarity | 0.6444 | NPC326791 |
| Remote Similarity | 0.641 | NPC8576 |
| Remote Similarity | 0.6364 | NPC74599 |
| Remote Similarity | 0.6333 | NPC53276 |
| Remote Similarity | 0.625 | NPC270175 |
| Remote Similarity | 0.619 | NPC320889 |
| Remote Similarity | 0.619 | NPC271640 |
| Remote Similarity | 0.5957 | NPC471440 |
| Remote Similarity | 0.5957 | NPC471575 |
| Remote Similarity | 0.5952 | NPC21157 |
| Remote Similarity | 0.5902 | NPC472544 |
| Remote Similarity | 0.5854 | NPC152949 |
| Remote Similarity | 0.5818 | NPC243635 |
| Remote Similarity | 0.5818 | NPC151004 |
| Remote Similarity | 0.5818 | NPC228980 |
| Remote Similarity | 0.5745 | NPC166030 |
| Remote Similarity | 0.5741 | NPC110136 |
| Remote Similarity | 0.5714 | NPC472828 |
| Remote Similarity | 0.5667 | NPC21781 |
| Remote Similarity | 0.566 | NPC193872 |
| Remote Similarity | 0.5652 | NPC477002 |
| Remote Similarity | 0.5641 | NPC27501 |
| Remote Similarity | 0.5641 | NPC125872 |
| Remote Similarity | 0.5641 | NPC83032 |
| Remote Similarity | 0.5641 | NPC14312 |
| Remote Similarity | 0.56 | NPC222078 |
| TTD | DIB002878 |
| DrugBank | DB06714 |
| ChEMBL | CHEMBL2105275 |
| IUPHAR/BPS | |
| PharmaGKB | PA165958387 |
| KEGG Drug | D05637 |
| PubChem CID | |
| ChEBI | 134783 |
| CAS Number | 101-40-6 |
| Molecular Weight | 155.17 |
| ALogP | -0.7205 |
| MLogP | 2.45 |
| XLogP | 3.509 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 5 |
| TPSA | 12.03 |
| RO5 Violation | 0 |