Drug ID:   | NPD1303 |
Drug Name:   | Atipamezole |
Molecular Formula:   | C14H16N2 |
Canonical SMILES:   | CCC1(Cc2c(C1)cccc2)c1cnc[nH]1 |
Standard InCHI:   | InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16) |
Standard InCHIKey:   | HSWPZIDYAHLZDD-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 | 0.8366 | NPC282531 |
Intermediate Similarity | 0.8113 | NPC300238 |
Intermediate Similarity | 0.7622 | NPC470204 |
Intermediate Similarity | 0.7576 | NPC470203 |
Intermediate Similarity | 0.7391 | NPC114209 |
Intermediate Similarity | 0.7326 | NPC317054 |
Intermediate Similarity | 0.7305 | NPC122141 |
Intermediate Similarity | 0.7239 | NPC321911 |
Intermediate Similarity | 0.7222 | NPC143872 |
Intermediate Similarity | 0.7178 | NPC469811 |
Intermediate Similarity | 0.7178 | NPC179787 |
Intermediate Similarity | 0.7178 | NPC201380 |
Intermediate Similarity | 0.717 | NPC73767 |
Intermediate Similarity | 0.7152 | NPC84911 |
Intermediate Similarity | 0.7135 | NPC54981 |
Intermediate Similarity | 0.7125 | NPC469768 |
Intermediate Similarity | 0.7125 | NPC469779 |
Intermediate Similarity | 0.7125 | NPC469784 |
Intermediate Similarity | 0.7125 | NPC469780 |
Intermediate Similarity | 0.7125 | NPC469767 |
Intermediate Similarity | 0.7125 | NPC469783 |
Intermediate Similarity | 0.7125 | NPC469761 |
Intermediate Similarity | 0.7117 | NPC63545 |
Intermediate Similarity | 0.7102 | NPC265710 |
Intermediate Similarity | 0.7089 | NPC29886 |
Intermediate Similarity | 0.7089 | NPC216159 |
Intermediate Similarity | 0.7089 | NPC96102 |
Intermediate Similarity | 0.7089 | NPC261195 |
Intermediate Similarity | 0.7081 | NPC469766 |
Intermediate Similarity | 0.7063 | NPC110126 |
Intermediate Similarity | 0.7062 | NPC16659 |
Intermediate Similarity | 0.7055 | NPC204141 |
Intermediate Similarity | 0.7045 | NPC473380 |
Intermediate Similarity | 0.7045 | NPC240088 |
Intermediate Similarity | 0.7044 | NPC105127 |
Intermediate Similarity | 0.7035 | NPC49217 |
Intermediate Similarity | 0.7022 | NPC307191 |
Intermediate Similarity | 0.7006 | NPC325903 |
Remote Similarity | 0.6982 | NPC286427 |
Remote Similarity | 0.6979 | NPC71238 |
Remote Similarity | 0.6951 | NPC314372 |
Remote Similarity | 0.6941 | NPC41257 |
Remote Similarity | 0.6933 | NPC190296 |
Remote Similarity | 0.6931 | NPC469308 |
Remote Similarity | 0.6914 | NPC279081 |
Remote Similarity | 0.6891 | NPC116555 |
Remote Similarity | 0.6886 | NPC53947 |
Remote Similarity | 0.6882 | NPC236711 |
Remote Similarity | 0.686 | NPC225018 |
Remote Similarity | 0.6835 | NPC82295 |
Remote Similarity | 0.6829 | NPC42483 |
Remote Similarity | 0.6821 | NPC317105 |
Remote Similarity | 0.681 | NPC230002 |
Remote Similarity | 0.6807 | NPC288838 |
Remote Similarity | 0.679 | NPC8590 |
Remote Similarity | 0.6786 | NPC105818 |
Remote Similarity | 0.6786 | NPC24678 |
Remote Similarity | 0.6766 | NPC471957 |
Remote Similarity | 0.6765 | NPC476219 |
Remote Similarity | 0.6765 | NPC476297 |
Remote Similarity | 0.6747 | NPC159856 |
Remote Similarity | 0.6744 | NPC318065 |
Remote Similarity | 0.6744 | NPC206819 |
Remote Similarity | 0.6744 | NPC56765 |
Remote Similarity | 0.6728 | NPC125746 |
Remote Similarity | 0.6717 | NPC282247 |
Remote Similarity | 0.6707 | NPC115611 |
Remote Similarity | 0.6706 | NPC25008 |
Remote Similarity | 0.6706 | NPC469760 |
Remote Similarity | 0.6706 | NPC469765 |
Remote Similarity | 0.6706 | NPC200214 |
Remote Similarity | 0.6706 | NPC469786 |
Remote Similarity | 0.6706 | NPC73952 |
Remote Similarity | 0.6706 | NPC469763 |
Remote Similarity | 0.6706 | NPC259644 |
Remote Similarity | 0.6686 | NPC17751 |
Remote Similarity | 0.6686 | NPC280864 |
Remote Similarity | 0.6667 | NPC80597 |
Remote Similarity | 0.6667 | NPC218268 |
Remote Similarity | 0.6667 | NPC108011 |
Remote Similarity | 0.6667 | NPC70922 |
Remote Similarity | 0.6667 | NPC212376 |
Remote Similarity | 0.6667 | NPC325252 |
Remote Similarity | 0.6667 | NPC75540 |
Remote Similarity | 0.6667 | NPC211572 |
Remote Similarity | 0.665 | NPC113369 |
Remote Similarity | 0.6647 | NPC470823 |
Remote Similarity | 0.6647 | NPC469975 |
Remote Similarity | 0.6647 | NPC470233 |
Remote Similarity | 0.6629 | NPC82331 |
Remote Similarity | 0.6629 | NPC90723 |
Remote Similarity | 0.6617 | NPC238945 |
Remote Similarity | 0.6617 | NPC267811 |
Remote Similarity | 0.6611 | NPC474958 |
Remote Similarity | 0.6611 | NPC280852 |
Remote Similarity | 0.6608 | NPC141926 |
Remote Similarity | 0.6605 | NPC198988 |
Remote Similarity | 0.6591 | NPC274229 |
Remote Similarity | 0.659 | NPC216643 |
Remote Similarity | 0.6575 | NPC477119 |
Remote Similarity | 0.6573 | NPC97343 |
Remote Similarity | 0.6571 | NPC253687 |
Remote Similarity | 0.657 | NPC34844 |
Remote Similarity | 0.6568 | NPC470111 |
Remote Similarity | 0.6561 | NPC474180 |
Remote Similarity | 0.6561 | NPC188821 |
Remote Similarity | 0.6552 | NPC135141 |
Remote Similarity | 0.6552 | NPC92796 |
Remote Similarity | 0.655 | NPC216713 |
Remote Similarity | 0.6534 | NPC247987 |
Remote Similarity | 0.6532 | NPC469785 |
Remote Similarity | 0.6522 | NPC101165 |
Remote Similarity | 0.6517 | NPC201700 |
Remote Similarity | 0.6514 | NPC215584 |
Remote Similarity | 0.6514 | NPC44773 |
Remote Similarity | 0.6506 | NPC2949 |
Remote Similarity | 0.6497 | NPC27740 |
Remote Similarity | 0.6495 | NPC54537 |
Remote Similarity | 0.6494 | NPC469762 |
Remote Similarity | 0.6483 | NPC155498 |
Remote Similarity | 0.648 | NPC194411 |
Remote Similarity | 0.646 | NPC22079 |
Remote Similarity | 0.6458 | NPC111132 |
Remote Similarity | 0.6446 | NPC88097 |
Remote Similarity | 0.6441 | NPC311276 |
Remote Similarity | 0.6429 | NPC69843 |
Remote Similarity | 0.6425 | NPC474389 |
Remote Similarity | 0.6424 | NPC150259 |
Remote Similarity | 0.6418 | NPC471603 |
Remote Similarity | 0.6395 | NPC33421 |
Remote Similarity | 0.6384 | NPC282231 |
Remote Similarity | 0.6379 | NPC120070 |
Remote Similarity | 0.6379 | NPC477815 |
Remote Similarity | 0.6374 | NPC280297 |
Remote Similarity | 0.6374 | NPC37423 |
Remote Similarity | 0.6374 | NPC275305 |
Remote Similarity | 0.6369 | NPC49954 |
Remote Similarity | 0.6369 | NPC160105 |
Remote Similarity | 0.6369 | NPC474561 |
Remote Similarity | 0.6364 | NPC477118 |
Remote Similarity | 0.6358 | NPC282398 |
Remote Similarity | 0.6348 | NPC40779 |
Remote Similarity | 0.6337 | NPC2272 |
Remote Similarity | 0.6333 | NPC323244 |
Remote Similarity | 0.633 | NPC477120 |
Remote Similarity | 0.6328 | NPC279918 |
Remote Similarity | 0.6328 | NPC131718 |
Remote Similarity | 0.6324 | NPC314919 |
Remote Similarity | 0.6324 | NPC477042 |
Remote Similarity | 0.6319 | NPC471322 |
Remote Similarity | 0.6316 | NPC316069 |
Remote Similarity | 0.631 | NPC59084 |
Remote Similarity | 0.6304 | NPC68354 |
Remote Similarity | 0.6304 | NPC151939 |
Remote Similarity | 0.6303 | NPC156003 |
Remote Similarity | 0.629 | NPC191415 |
Remote Similarity | 0.6272 | NPC63157 |
Remote Similarity | 0.6272 | NPC473868 |
Remote Similarity | 0.6271 | NPC230869 |
Remote Similarity | 0.627 | NPC215795 |
Remote Similarity | 0.627 | NPC176199 |
Remote Similarity | 0.627 | NPC11126 |
Remote Similarity | 0.627 | NPC213468 |
Remote Similarity | 0.6266 | NPC41174 |
Remote Similarity | 0.6257 | NPC149265 |
Remote Similarity | 0.6257 | NPC86288 |
Remote Similarity | 0.6257 | NPC470440 |
Remote Similarity | 0.625 | NPC146373 |
Remote Similarity | 0.625 | NPC473342 |
Remote Similarity | 0.625 | NPC316359 |
Remote Similarity | 0.625 | NPC315617 |
Remote Similarity | 0.625 | NPC477166 |
Remote Similarity | 0.625 | NPC166424 |
Remote Similarity | 0.625 | NPC304187 |
Remote Similarity | 0.625 | NPC477167 |
Remote Similarity | 0.625 | NPC245244 |
Remote Similarity | 0.6244 | NPC470323 |
Remote Similarity | 0.6243 | NPC63751 |
Remote Similarity | 0.6237 | NPC300688 |
Remote Similarity | 0.6231 | NPC473376 |
Remote Similarity | 0.623 | NPC314603 |
Remote Similarity | 0.623 | NPC231536 |
Remote Similarity | 0.623 | NPC477611 |
Remote Similarity | 0.6229 | NPC232798 |
Remote Similarity | 0.6223 | NPC284678 |
Remote Similarity | 0.622 | NPC475450 |
Remote Similarity | 0.6215 | NPC267078 |
Remote Similarity | 0.6215 | NPC328924 |
Remote Similarity | 0.6215 | NPC935 |
Remote Similarity | 0.6213 | NPC284635 |
Remote Similarity | 0.6211 | NPC250361 |
Remote Similarity | 0.6211 | NPC243319 |
Remote Similarity | 0.6207 | NPC40070 |
Remote Similarity | 0.6203 | NPC265605 |
Remote Similarity | 0.6203 | NPC182570 |
Remote Similarity | 0.6203 | NPC48564 |
Remote Similarity | 0.6197 | NPC9639 |
Remote Similarity | 0.6196 | NPC293216 |
Remote Similarity | 0.6196 | NPC471579 |
Remote Similarity | 0.6196 | NPC473587 |
Molecular Weight   | 212.13 |
ALogP   | 0.4291 |
MLogP   | 2.78 |
XLogP   | 4.897 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 28.68 |
RO5 Violation   | 0 |