Drug Information| Drug ID: | NPD401 |
| Drug Name: | Spermine |
| Molecular Formula: | C10H26N4 |
| Canonical SMILES: | NCCCNCCCCNCCCN |
| Standard InCHI: | InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 |
| Standard InCHIKey: | PFNFFQXMRSDOHW-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD401Similarity 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 |
|---|---|---|
| High Similarity | 1.0 | NPC95589 |
| High Similarity | 0.9286 | NPC152949 |
| High Similarity | 0.9286 | NPC193536 |
| High Similarity | 0.9 | NPC320889 |
| High Similarity | 0.8929 | NPC27675 |
| High Similarity | 0.8621 | NPC270175 |
| Intermediate Similarity | 0.8485 | NPC74599 |
| Intermediate Similarity | 0.7778 | NPC240230 |
| Intermediate Similarity | 0.75 | NPC326791 |
| Intermediate Similarity | 0.7419 | NPC232311 |
| Intermediate Similarity | 0.7368 | NPC319114 |
| Intermediate Similarity | 0.7105 | NPC321202 |
| Remote Similarity | 0.697 | NPC21157 |
| Remote Similarity | 0.6897 | NPC119368 |
| Remote Similarity | 0.6786 | NPC28081 |
| Remote Similarity | 0.6786 | NPC309330 |
| Remote Similarity | 0.6667 | NPC163099 |
| Remote Similarity | 0.6579 | NPC473035 |
| Remote Similarity | 0.6579 | NPC270319 |
| Remote Similarity | 0.6429 | NPC309715 |
| Remote Similarity | 0.641 | NPC167301 |
| Remote Similarity | 0.6333 | NPC306277 |
| Remote Similarity | 0.6207 | NPC27869 |
| Remote Similarity | 0.6098 | NPC15231 |
| Remote Similarity | 0.6053 | NPC203203 |
| Remote Similarity | 0.5882 | NPC313882 |
| Remote Similarity | 0.5667 | NPC258096 |
| Remote Similarity | 0.5625 | NPC83032 |
| Remote Similarity | 0.5625 | NPC125872 |
| TTD | DNC010766 |
| DrugBank | DB00127 |
| ChEMBL | CHEMBL23194 |
| IUPHAR/BPS | |
| PharmaGKB | PA164781199 |
| KEGG Drug | |
| PubChem CID | 1103 |
| ChEBI | 15746 |
| CAS Number | 71-44-3 |
| Molecular Weight | 202.22 |
| ALogP | -3.423 |
| MLogP | 2.12 |
| XLogP | -0.682 |
| HDA | 4 |
| HBD | 4 |
| Rotatable Bonds | 13 |
| TPSA | 76.1 |
| RO5 Violation | 1 |