Drug ID:   | NPD9458 |
Drug Name:   | Polihexanide |
Molecular Formula:   | C8H19N5 |
Canonical SMILES:   | CCCCCCNC(=N)NC(=N)N |
Standard InCHI:   | InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13) |
Standard InCHIKey:   | VAZJLPXFVQHDFB-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
Similarity 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.
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 | 0.8974 | NPC270319 |
Intermediate Similarity | 0.8293 | NPC240230 |
Intermediate Similarity | 0.8205 | NPC163099 |
Intermediate Similarity | 0.75 | NPC32934 |
Remote Similarity | 0.6875 | NPC188989 |
Remote Similarity | 0.6744 | NPC74599 |
Remote Similarity | 0.6585 | NPC320889 |
Remote Similarity | 0.6346 | NPC110136 |
Remote Similarity | 0.6341 | NPC95589 |
Remote Similarity | 0.625 | NPC152949 |
Remote Similarity | 0.625 | NPC97568 |
Remote Similarity | 0.625 | NPC253366 |
Remote Similarity | 0.625 | NPC270175 |
Remote Similarity | 0.6226 | NPC153280 |
Remote Similarity | 0.6087 | NPC326791 |
Remote Similarity | 0.6087 | NPC473035 |
Remote Similarity | 0.5957 | NPC167301 |
Remote Similarity | 0.5938 | NPC133183 |
Remote Similarity | 0.5854 | NPC193536 |
Remote Similarity | 0.5854 | NPC313882 |
Remote Similarity | 0.5806 | NPC278881 |
Remote Similarity | 0.58 | NPC223653 |
Remote Similarity | 0.575 | NPC230775 |
Remote Similarity | 0.5714 | NPC15231 |
Remote Similarity | 0.5714 | NPC319114 |
Remote Similarity | 0.5641 | NPC125872 |
Remote Similarity | 0.5625 | NPC233570 |
Remote Similarity | 0.561 | NPC27675 |
Molecular Weight   | 185.16 |
ALogP   | -1.5168 |
MLogP   | 1.79 |
XLogP   | 2.483 |
HDA   | 5 |
HBD   | 5 |
Rotatable Bonds   | 10 |
TPSA   | 97.78 |
RO5 Violation   | 0 |