Drug Information| Drug ID: | NPD396 |
| Drug Name: | Guanethidine |
| Molecular Formula: | C10H22N4 |
| Canonical SMILES: | NC(=N)NCCN1CCCCCCC1 |
| Standard InCHI: | InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13) |
| Standard InCHIKey: | ACGDKVXYNVEAGU-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD396Similarity 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 | 0.7778 | NPC270319 |
| Intermediate Similarity | 0.7609 | NPC240230 |
| Intermediate Similarity | 0.7111 | NPC163099 |
| Remote Similarity | 0.6596 | NPC74599 |
| Remote Similarity | 0.6327 | NPC326791 |
| Remote Similarity | 0.6087 | NPC320889 |
| Remote Similarity | 0.6071 | NPC32934 |
| Remote Similarity | 0.587 | NPC95589 |
| Remote Similarity | 0.5778 | NPC152949 |
| Remote Similarity | 0.569 | NPC110136 |
| Remote Similarity | 0.5686 | NPC473035 |
| Molecular Weight | 198.18 |
| ALogP | -1.8499 |
| MLogP | 2.12 |
| XLogP | 1.461 |
| HDA | 4 |
| HBD | 3 |
| Rotatable Bonds | 5 |
| TPSA | 65.14 |
| RO5 Violation | 0 |