Drug ID:   | NPD2766 |
Drug Name:   | Econazole |
Molecular Formula:   | C18H15Cl3N2O |
Canonical SMILES:   | Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1 |
Standard InCHI:   | InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 |
Standard InCHIKey:   | LEZWWPYKPKIXLL-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.7583 | NPC471614 |
Remote Similarity | 0.6603 | NPC242923 |
Remote Similarity | 0.6488 | NPC54537 |
Remote Similarity | 0.6389 | NPC308906 |
Remote Similarity | 0.6376 | NPC228206 |
Remote Similarity | 0.6359 | NPC469975 |
Remote Similarity | 0.6275 | NPC280638 |
Remote Similarity | 0.625 | NPC282531 |
Remote Similarity | 0.619 | NPC477796 |
Remote Similarity | 0.619 | NPC477795 |
Remote Similarity | 0.619 | NPC477805 |
Remote Similarity | 0.619 | NPC477806 |
Remote Similarity | 0.615 | NPC284678 |
Remote Similarity | 0.6147 | NPC12100 |
Remote Similarity | 0.6106 | NPC160666 |
Remote Similarity | 0.6068 | NPC198673 |
Remote Similarity | 0.6036 | NPC17305 |
Remote Similarity | 0.6029 | NPC168911 |
Remote Similarity | 0.6019 | NPC113369 |
Remote Similarity | 0.6017 | NPC30540 |
Remote Similarity | 0.5963 | NPC471603 |
Remote Similarity | 0.596 | NPC317054 |
Remote Similarity | 0.5952 | NPC239954 |
Remote Similarity | 0.5951 | NPC472289 |
Remote Similarity | 0.5928 | NPC238945 |
Remote Similarity | 0.5903 | NPC323244 |
Remote Similarity | 0.5874 | NPC250178 |
Remote Similarity | 0.5829 | NPC267928 |
Remote Similarity | 0.5801 | NPC328924 |
Remote Similarity | 0.5784 | NPC48938 |
Remote Similarity | 0.5773 | NPC477591 |
Remote Similarity | 0.5764 | NPC107160 |
Remote Similarity | 0.5758 | NPC21461 |
Remote Similarity | 0.5748 | NPC19872 |
Remote Similarity | 0.5728 | NPC212213 |
Remote Similarity | 0.5708 | NPC287208 |
Remote Similarity | 0.5707 | NPC471312 |
Remote Similarity | 0.5707 | NPC471609 |
Remote Similarity | 0.5702 | NPC56271 |
Remote Similarity | 0.5689 | NPC467439 |
Remote Similarity | 0.5685 | NPC475998 |
Remote Similarity | 0.5668 | NPC476138 |
Remote Similarity | 0.5668 | NPC245816 |
Remote Similarity | 0.5665 | NPC211997 |
Remote Similarity | 0.5664 | NPC136924 |
Remote Similarity | 0.5647 | NPC115595 |
Remote Similarity | 0.5645 | NPC315348 |
Remote Similarity | 0.5645 | NPC32002 |
Remote Similarity | 0.5631 | NPC54981 |
Remote Similarity | 0.5628 | NPC150447 |
Remote Similarity | 0.5622 | NPC315062 |
Remote Similarity | 0.5616 | NPC134586 |
Remote Similarity | 0.5608 | NPC471323 |
TTD   | DIB016222; DAP001269 |
DrugBank   | DB01127 |
ChEMBL   | CHEMBL808 |
IUPHAR/BPS   | 2446 |
PharmaGKB   | PA164746010 |
KEGG Drug   | D03936 |
PubChem CID   | 68589; 3198 |
ChEBI   | 82873 |
CAS Number   | 27220-47-9 |
Molecular Weight   | 380.02 |
ALogP   | 2.0648 |
MLogP   | 2.78 |
XLogP   | 4.815 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 9 |
TPSA   | 27.05 |
RO5 Violation   | 0 |