Drug ID: | NPD5383 |
Drug Name: | Docosanol |
Molecular Formula: | C22H46O |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCCCCCO |
Standard InCHI: | InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3 |
Standard InCHIKey: | NOPFSRXAKWQILS-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
TTD | DAP001249 |
DrugBank | DB00632 |
ChEMBL | CHEMBL1200453 |
IUPHAR/BPS | |
PharmaGKB | PA164749211 |
KEGG Drug | |
PubChem CID | 12620 |
ChEBI | 31000 |
CAS Number | 661-19-8 |
Molecular Weight | 326.35 |
ALogP | -6.1574 |
MLogP | 3.77 |
XLogP | 11.093 |
HDA | 1 |
HBD | 1 |
Rotatable Bonds | 22 |
TPSA | 20.23 |
RO5 Violation | 2 |