Drug ID:   | NPD1313 |
Drug Name:   | Imiquimod |
Molecular Formula:   | C14H16N4 |
Canonical SMILES:   | CC(Cn1cnc2c1c1ccccc1[nH]c2=N)C |
Standard InCHI:   | InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17) |
Standard InCHIKey:   | DOUYETYNHWVLEO-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 | 0.8434 | NPC317054 |
Intermediate Similarity | 0.8221 | NPC470204 |
Intermediate Similarity | 0.8199 | NPC476297 |
Intermediate Similarity | 0.8199 | NPC476219 |
Intermediate Similarity | 0.8171 | NPC470203 |
Intermediate Similarity | 0.8113 | NPC114209 |
Intermediate Similarity | 0.8049 | NPC300238 |
Intermediate Similarity | 0.7987 | NPC204141 |
Intermediate Similarity | 0.7892 | NPC122141 |
Intermediate Similarity | 0.7778 | NPC179787 |
Intermediate Similarity | 0.7778 | NPC201380 |
Intermediate Similarity | 0.7758 | NPC120070 |
Intermediate Similarity | 0.7738 | NPC225018 |
Intermediate Similarity | 0.773 | NPC321911 |
Intermediate Similarity | 0.7716 | NPC63545 |
Intermediate Similarity | 0.7707 | NPC216159 |
Intermediate Similarity | 0.7669 | NPC469811 |
Intermediate Similarity | 0.7643 | NPC198988 |
Intermediate Similarity | 0.7625 | NPC115611 |
Intermediate Similarity | 0.7607 | NPC143872 |
Intermediate Similarity | 0.7571 | NPC307191 |
Intermediate Similarity | 0.7561 | NPC470111 |
Intermediate Similarity | 0.7547 | NPC125746 |
Intermediate Similarity | 0.7516 | NPC59084 |
Intermediate Similarity | 0.7516 | NPC284635 |
Intermediate Similarity | 0.7486 | NPC108011 |
Intermediate Similarity | 0.7485 | NPC325903 |
Intermediate Similarity | 0.7485 | NPC317105 |
Intermediate Similarity | 0.7484 | NPC325252 |
Intermediate Similarity | 0.7469 | NPC63157 |
Intermediate Similarity | 0.7469 | NPC473868 |
Intermediate Similarity | 0.7456 | NPC236711 |
Intermediate Similarity | 0.7453 | NPC73767 |
Intermediate Similarity | 0.7453 | NPC88097 |
Intermediate Similarity | 0.7453 | NPC110126 |
Intermediate Similarity | 0.7447 | NPC469308 |
Intermediate Similarity | 0.7425 | NPC469975 |
Intermediate Similarity | 0.741 | NPC282531 |
Intermediate Similarity | 0.7396 | NPC116555 |
Intermediate Similarity | 0.7384 | NPC247987 |
Intermediate Similarity | 0.7371 | NPC82331 |
Intermediate Similarity | 0.7365 | NPC40070 |
Intermediate Similarity | 0.736 | NPC265710 |
Intermediate Similarity | 0.7345 | NPC280852 |
Intermediate Similarity | 0.7329 | NPC105127 |
Intermediate Similarity | 0.7329 | NPC84911 |
Intermediate Similarity | 0.7318 | NPC16659 |
Intermediate Similarity | 0.7303 | NPC240088 |
Intermediate Similarity | 0.7303 | NPC473380 |
Intermediate Similarity | 0.7301 | NPC469767 |
Intermediate Similarity | 0.7301 | NPC469779 |
Intermediate Similarity | 0.7301 | NPC2949 |
Intermediate Similarity | 0.7301 | NPC469784 |
Intermediate Similarity | 0.7301 | NPC469780 |
Intermediate Similarity | 0.7301 | NPC469768 |
Intermediate Similarity | 0.7301 | NPC469783 |
Intermediate Similarity | 0.7301 | NPC469761 |
Intermediate Similarity | 0.7299 | NPC49217 |
Intermediate Similarity | 0.7283 | NPC478184 |
Intermediate Similarity | 0.7267 | NPC261195 |
Intermediate Similarity | 0.7267 | NPC96102 |
Intermediate Similarity | 0.7267 | NPC29886 |
Intermediate Similarity | 0.7256 | NPC469766 |
Intermediate Similarity | 0.7247 | NPC474958 |
Intermediate Similarity | 0.7246 | NPC21605 |
Intermediate Similarity | 0.7238 | NPC471609 |
Intermediate Similarity | 0.7233 | NPC82295 |
Intermediate Similarity | 0.7229 | NPC470440 |
Intermediate Similarity | 0.7225 | NPC253687 |
Intermediate Similarity | 0.7222 | NPC150259 |
Intermediate Similarity | 0.7219 | NPC470233 |
Intermediate Similarity | 0.7212 | NPC42483 |
Intermediate Similarity | 0.7212 | NPC20144 |
Intermediate Similarity | 0.7209 | NPC477591 |
Intermediate Similarity | 0.7209 | NPC56765 |
Intermediate Similarity | 0.7205 | NPC296437 |
Intermediate Similarity | 0.7193 | NPC476464 |
Intermediate Similarity | 0.7186 | NPC267811 |
Intermediate Similarity | 0.7184 | NPC478182 |
Intermediate Similarity | 0.717 | NPC22079 |
Intermediate Similarity | 0.7161 | NPC46358 |
Intermediate Similarity | 0.716 | NPC53947 |
Intermediate Similarity | 0.716 | NPC218268 |
Intermediate Similarity | 0.7143 | NPC274229 |
Intermediate Similarity | 0.7143 | NPC2165 |
Intermediate Similarity | 0.7143 | NPC195507 |
Intermediate Similarity | 0.7135 | NPC472289 |
Intermediate Similarity | 0.7134 | NPC104483 |
Intermediate Similarity | 0.7126 | NPC314372 |
Intermediate Similarity | 0.7119 | NPC164664 |
Intermediate Similarity | 0.7117 | NPC314102 |
Intermediate Similarity | 0.7117 | NPC251722 |
Intermediate Similarity | 0.711 | NPC474880 |
Intermediate Similarity | 0.711 | NPC293487 |
Intermediate Similarity | 0.711 | NPC475990 |
Intermediate Similarity | 0.711 | NPC221786 |
Intermediate Similarity | 0.7108 | NPC190296 |
Intermediate Similarity | 0.7097 | NPC41174 |
Intermediate Similarity | 0.7095 | NPC471579 |
Intermediate Similarity | 0.7091 | NPC279081 |
Intermediate Similarity | 0.7091 | NPC476521 |
Intermediate Similarity | 0.7086 | NPC90723 |
Intermediate Similarity | 0.7079 | NPC105758 |
Intermediate Similarity | 0.7079 | NPC476688 |
Intermediate Similarity | 0.7079 | NPC476686 |
Intermediate Similarity | 0.7073 | NPC476433 |
Intermediate Similarity | 0.7073 | NPC476528 |
Intermediate Similarity | 0.7069 | NPC229173 |
Intermediate Similarity | 0.7059 | NPC33421 |
Intermediate Similarity | 0.7055 | NPC470266 |
Intermediate Similarity | 0.7045 | NPC280864 |
Intermediate Similarity | 0.7045 | NPC17751 |
Intermediate Similarity | 0.7041 | NPC71238 |
Intermediate Similarity | 0.703 | NPC474986 |
Intermediate Similarity | 0.703 | NPC476013 |
Intermediate Similarity | 0.703 | NPC476522 |
Intermediate Similarity | 0.7022 | NPC97343 |
Intermediate Similarity | 0.7019 | NPC101165 |
Intermediate Similarity | 0.7011 | NPC206819 |
Intermediate Similarity | 0.7011 | NPC318065 |
Intermediate Similarity | 0.7006 | NPC27740 |
Remote Similarity | 0.6993 | NPC81561 |
Remote Similarity | 0.6988 | NPC230002 |
Remote Similarity | 0.6982 | NPC288838 |
Remote Similarity | 0.6977 | NPC232798 |
Remote Similarity | 0.6977 | NPC200214 |
Remote Similarity | 0.6973 | NPC476341 |
Remote Similarity | 0.6966 | NPC278874 |
Remote Similarity | 0.6959 | NPC24678 |
Remote Similarity | 0.6959 | NPC105818 |
Remote Similarity | 0.6957 | NPC475428 |
Remote Similarity | 0.6954 | NPC286427 |
Remote Similarity | 0.695 | NPC282247 |
Remote Similarity | 0.6941 | NPC471957 |
Remote Similarity | 0.6935 | NPC54981 |
Remote Similarity | 0.6932 | NPC478185 |
Remote Similarity | 0.6928 | NPC148140 |
Remote Similarity | 0.6928 | NPC476520 |
Remote Similarity | 0.6927 | NPC91895 |
Remote Similarity | 0.6923 | NPC159856 |
Remote Similarity | 0.6923 | NPC48564 |
Remote Similarity | 0.6923 | NPC182570 |
Remote Similarity | 0.6923 | NPC265605 |
Remote Similarity | 0.6918 | NPC250361 |
Remote Similarity | 0.6915 | NPC231536 |
Remote Similarity | 0.6914 | NPC475450 |
Remote Similarity | 0.6914 | NPC41257 |
Remote Similarity | 0.691 | NPC478183 |
Remote Similarity | 0.691 | NPC56233 |
Remote Similarity | 0.6905 | NPC476408 |
Remote Similarity | 0.69 | NPC471603 |
Remote Similarity | 0.6894 | NPC473587 |
Remote Similarity | 0.6893 | NPC271797 |
Remote Similarity | 0.6893 | NPC21174 |
Remote Similarity | 0.6882 | NPC478186 |
Remote Similarity | 0.6879 | NPC469765 |
Remote Similarity | 0.6879 | NPC73952 |
Remote Similarity | 0.6879 | NPC25008 |
Remote Similarity | 0.6879 | NPC259644 |
Remote Similarity | 0.6879 | NPC469786 |
Remote Similarity | 0.6879 | NPC469760 |
Remote Similarity | 0.6879 | NPC469763 |
Remote Similarity | 0.6875 | NPC44773 |
Remote Similarity | 0.6875 | NPC215584 |
Remote Similarity | 0.6864 | NPC244700 |
Remote Similarity | 0.6857 | NPC216643 |
Remote Similarity | 0.6852 | NPC282398 |
Remote Similarity | 0.6851 | NPC208060 |
Remote Similarity | 0.6839 | NPC34844 |
Remote Similarity | 0.6839 | NPC80597 |
Remote Similarity | 0.6839 | NPC75540 |
Remote Similarity | 0.6839 | NPC70922 |
Remote Similarity | 0.6839 | NPC211572 |
Remote Similarity | 0.6839 | NPC212376 |
Remote Similarity | 0.6833 | NPC32534 |
Remote Similarity | 0.6833 | NPC474897 |
Remote Similarity | 0.6832 | NPC473762 |
Remote Similarity | 0.6821 | NPC470823 |
Remote Similarity | 0.6811 | NPC191415 |
Remote Similarity | 0.681 | NPC69843 |
Remote Similarity | 0.681 | NPC179365 |
Remote Similarity | 0.681 | NPC471322 |
Remote Similarity | 0.6806 | NPC188821 |
Remote Similarity | 0.6806 | NPC474180 |
Remote Similarity | 0.6796 | NPC201634 |
Remote Similarity | 0.6782 | NPC141926 |
Remote Similarity | 0.6777 | NPC470323 |
Remote Similarity | 0.6761 | NPC129721 |
Remote Similarity | 0.6755 | NPC135601 |
Remote Similarity | 0.6755 | NPC141612 |
Remote Similarity | 0.6755 | NPC17273 |
Remote Similarity | 0.6752 | NPC215519 |
Remote Similarity | 0.675 | NPC245244 |
Remote Similarity | 0.675 | NPC146373 |
Remote Similarity | 0.675 | NPC166424 |
Remote Similarity | 0.6745 | NPC267078 |
Remote Similarity | 0.6745 | NPC935 |
Remote Similarity | 0.6742 | NPC224632 |
Remote Similarity | 0.674 | NPC194411 |
Remote Similarity | 0.6738 | NPC284678 |
Molecular Weight   | 240.14 |
ALogP   | 0.1211 |
MLogP   | 2.56 |
XLogP   | 3.387 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 4 |
TPSA   | 53.7 |
RO5 Violation   | 0 |