Drug ID:   | NPD5385 |
Drug Name:   | Didecyldimethylammonium |
Molecular Formula:   | C22H48N |
Canonical SMILES:   | CCCCCCCCCC[N+](CCCCCCCCCC)(C)C |
Standard InCHI:   | InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1 |
Standard InCHIKey:   | JGFDZZLUDWMUQH-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 |
---|---|---|
Intermediate Similarity | 0.7778 | NPC473035 |
Intermediate Similarity | 0.7778 | NPC326791 |
Intermediate Similarity | 0.7647 | NPC323644 |
Intermediate Similarity | 0.7568 | NPC471440 |
Intermediate Similarity | 0.7568 | NPC471575 |
Intermediate Similarity | 0.7297 | NPC166030 |
Intermediate Similarity | 0.7179 | NPC15231 |
Remote Similarity | 0.6757 | NPC74599 |
Remote Similarity | 0.6667 | NPC167301 |
Remote Similarity | 0.6667 | NPC313882 |
Remote Similarity | 0.6552 | NPC258096 |
Remote Similarity | 0.6176 | NPC270175 |
Remote Similarity | 0.6111 | NPC320889 |
Remote Similarity | 0.6061 | NPC256060 |
Remote Similarity | 0.5957 | NPC201713 |
Remote Similarity | 0.5952 | NPC141914 |
Remote Similarity | 0.5862 | NPC26229 |
Remote Similarity | 0.5862 | NPC77249 |
Remote Similarity | 0.5862 | NPC154477 |
Remote Similarity | 0.5862 | NPC26974 |
Remote Similarity | 0.5862 | NPC239406 |
Remote Similarity | 0.5758 | NPC287807 |
Remote Similarity | 0.5745 | NPC153803 |
Remote Similarity | 0.5714 | NPC471607 |
Remote Similarity | 0.5714 | NPC152949 |
TTD   | |
DrugBank   | DB04221 |
ChEMBL   | CHEMBL1182247 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   | 20256-56-8 |
Molecular Weight   | 326.38 |
ALogP   | -5.7215 |
MLogP   | 3.77 |
XLogP   | 9.4 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 22 |
TPSA   | 0 |
RO5 Violation   | 2 |