Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD1303

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD   DNC000261
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   71310
ChEBI  
CAS Number  

Drug Properties

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