Drug Information| Drug ID: | NPD8815 |
| Drug Name: | AGE inhibitors (2nd generation), Alteon |
| Molecular Formula: | C5H13N5O |
| Canonical SMILES: | CC(=NCCNC(=N)NN)O |
| Standard InCHI: | InChI=1S/C5H13N5O/c1-4(11)8-2-3-9-5(6)10-7/h2-3,7H2,1H3,(H,8,11)(H3,6,9,10) |
| Standard InCHIKey: | LIXUJNFJCDOFDF-UHFFFAOYSA-N |
| Max Developmental Stage: | Suspended |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8815Similarity 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 | 0.6226 | NPC27836 |
| Remote Similarity | 0.6182 | NPC153556 |
| Remote Similarity | 0.6182 | NPC141953 |
| Remote Similarity | 0.58 | NPC163099 |
| Remote Similarity | 0.5741 | NPC319114 |
| Remote Similarity | 0.5714 | NPC328698 |
| TTD | DIB001920 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 159.11 |
| ALogP | -1.3377 |
| MLogP | 1.35 |
| XLogP | -0.694 |
| HDA | 6 |
| HBD | 5 |
| Rotatable Bonds | 8 |
| TPSA | 106.52 |
| RO5 Violation | 0 |