Drug Information| Drug ID: | NPD392 |
| Drug Name: | Diethylcarbamazine |
| Molecular Formula: | C10H21N3O |
| Canonical SMILES: | CCN(C(=O)N1CCN(CC1)C)CC |
| Standard InCHI: | InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3 |
| Standard InCHIKey: | RCKMWOKWVGPNJF-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD392Similarity 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 | 0.6571 | NPC263968 |
| Remote Similarity | 0.5952 | NPC292154 |
| Remote Similarity | 0.5789 | NPC89546 |
| Molecular Weight | 199.17 |
| ALogP | 0.2396 |
| MLogP | 2.12 |
| XLogP | 0.123 |
| HDA | 4 |
| HBD | 0 |
| Rotatable Bonds | 7 |
| TPSA | 26.79 |
| RO5 Violation | 0 |