Drug Information

Drug ID:  NPD1290
Drug Name:  Fipamezole
Molecular Formula:  C14H15FN2
Canonical SMILES:  CCC1(Cc2c(C1)ccc(c2)F)c1cnc[nH]1
Standard InCHI:  InChI=1S/C14H15FN2/c1-2-14(13-8-16-9-17-13)6-10-3-4-12(15)5-11(10)7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
Standard InCHIKey:  KXSUAWAUCNFBQJ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1290

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 0.8258 NPC282531
Intermediate Similarity 0.8012 NPC300238
Intermediate Similarity 0.7425 NPC470204
Intermediate Similarity 0.7381 NPC470203
Intermediate Similarity 0.7301 NPC114209
Intermediate Similarity 0.7241 NPC317054
Intermediate Similarity 0.7219 NPC122141
Intermediate Similarity 0.7152 NPC321911
Intermediate Similarity 0.7134 NPC143872
Intermediate Similarity 0.7091 NPC469811
Intermediate Similarity 0.7091 NPC201380
Intermediate Similarity 0.7091 NPC179787
Intermediate Similarity 0.7063 NPC84911
Intermediate Similarity 0.7037 NPC469308
Intermediate Similarity 0.703 NPC63545
Intermediate Similarity 0.7 NPC29886
Intermediate Similarity 0.7 NPC96102
Intermediate Similarity 0.7 NPC261195
Intermediate Similarity 0.7 NPC216159
Remote Similarity 0.6975 NPC110126
Remote Similarity 0.6975 NPC73767
Remote Similarity 0.6974 NPC54981
Remote Similarity 0.6966 NPC473380
Remote Similarity 0.6966 NPC240088
Remote Similarity 0.6957 NPC105127
Remote Similarity 0.6954 NPC49217
Remote Similarity 0.6933 NPC469779
Remote Similarity 0.6933 NPC469784
Remote Similarity 0.6933 NPC469780
Remote Similarity 0.6933 NPC469767
Remote Similarity 0.6933 NPC469783
Remote Similarity 0.6933 NPC469761
Remote Similarity 0.6933 NPC469768
Remote Similarity 0.6927 NPC265710
Remote Similarity 0.6923 NPC325903
Remote Similarity 0.689 NPC469766
Remote Similarity 0.6889 NPC16659
Remote Similarity 0.6867 NPC204141
Remote Similarity 0.6851 NPC307191
Remote Similarity 0.6848 NPC190296
Remote Similarity 0.6829 NPC279081
Remote Similarity 0.6821 NPC71238
Remote Similarity 0.6821 NPC116555
Remote Similarity 0.6802 NPC286427
Remote Similarity 0.6802 NPC236711
Remote Similarity 0.6782 NPC225018
Remote Similarity 0.6766 NPC314372
Remote Similarity 0.6765 NPC470233
Remote Similarity 0.6763 NPC41257
Remote Similarity 0.675 NPC82295
Remote Similarity 0.6747 NPC42483
Remote Similarity 0.6743 NPC317105
Remote Similarity 0.6727 NPC230002
Remote Similarity 0.6726 NPC288838
Remote Similarity 0.6706 NPC53947
Remote Similarity 0.6686 NPC471957
Remote Similarity 0.6667 NPC159856
Remote Similarity 0.665 NPC282247
Remote Similarity 0.6646 NPC125746
Remote Similarity 0.6627 NPC115611
Remote Similarity 0.661 NPC280864
Remote Similarity 0.661 NPC17751
Remote Similarity 0.6608 NPC24678
Remote Similarity 0.6608 NPC105818
Remote Similarity 0.6606 NPC8590
Remote Similarity 0.66 NPC471603
Remote Similarity 0.659 NPC476219
Remote Similarity 0.659 NPC476297
Remote Similarity 0.6585 NPC325252
Remote Similarity 0.6571 NPC56765
Remote Similarity 0.6571 NPC206819
Remote Similarity 0.6571 NPC318065
Remote Similarity 0.657 NPC470823
Remote Similarity 0.6552 NPC267811
Remote Similarity 0.6532 NPC200214
Remote Similarity 0.6532 NPC469765
Remote Similarity 0.6532 NPC73952
Remote Similarity 0.6532 NPC469760
Remote Similarity 0.6532 NPC259644
Remote Similarity 0.6532 NPC469763
Remote Similarity 0.6532 NPC469786
Remote Similarity 0.6532 NPC25008
Remote Similarity 0.6532 NPC141926
Remote Similarity 0.6524 NPC198988
Remote Similarity 0.6517 NPC274229
Remote Similarity 0.6505 NPC108011
Remote Similarity 0.65 NPC97343
Remote Similarity 0.65 NPC113369
Remote Similarity 0.6497 NPC253687
Remote Similarity 0.6494 NPC212376
Remote Similarity 0.6494 NPC70922
Remote Similarity 0.6494 NPC211572
Remote Similarity 0.6494 NPC75540
Remote Similarity 0.6494 NPC34844
Remote Similarity 0.6494 NPC80597
Remote Similarity 0.6492 NPC474180
Remote Similarity 0.6492 NPC188821
Remote Similarity 0.6485 NPC218268
Remote Similarity 0.6474 NPC469975
Remote Similarity 0.6474 NPC216713
Remote Similarity 0.6471 NPC238945
Remote Similarity 0.6464 NPC82331
Remote Similarity 0.6461 NPC90723
Remote Similarity 0.6448 NPC474958
Remote Similarity 0.6448 NPC280852
Remote Similarity 0.6442 NPC101165
Remote Similarity 0.6441 NPC44773
Remote Similarity 0.6441 NPC215584
Remote Similarity 0.642 NPC216643
Remote Similarity 0.6415 NPC27740
Remote Similarity 0.6413 NPC477119
Remote Similarity 0.6395 NPC470111
Remote Similarity 0.6395 NPC155498
Remote Similarity 0.6384 NPC135141
Remote Similarity 0.6384 NPC92796
Remote Similarity 0.638 NPC22079
Remote Similarity 0.637 NPC111132
Remote Similarity 0.6369 NPC247987
Remote Similarity 0.6364 NPC469785
Remote Similarity 0.6359 NPC474389
Remote Similarity 0.6354 NPC201700
Remote Similarity 0.6345 NPC54537
Remote Similarity 0.6331 NPC2949
Remote Similarity 0.6328 NPC469762
Remote Similarity 0.6319 NPC194411
Remote Similarity 0.6313 NPC282231
Remote Similarity 0.6307 NPC120070
Remote Similarity 0.6304 NPC280297
Remote Similarity 0.6291 NPC69843
Remote Similarity 0.628 NPC282398
Remote Similarity 0.6278 NPC311276
Remote Similarity 0.6272 NPC88097
Remote Similarity 0.6257 NPC279918
Remote Similarity 0.6257 NPC131718
Remote Similarity 0.625 NPC150259
Remote Similarity 0.6244 NPC156003
Remote Similarity 0.6243 NPC316069
Remote Similarity 0.6229 NPC33421
Remote Similarity 0.6223 NPC191415
Remote Similarity 0.6216 NPC275305
Remote Similarity 0.6216 NPC37423
Remote Similarity 0.6215 NPC477815
Remote Similarity 0.6211 NPC477118
Remote Similarity 0.6209 NPC49954
Remote Similarity 0.6209 NPC474561
Remote Similarity 0.6209 NPC160105
Remote Similarity 0.6201 NPC230869
Remote Similarity 0.6197 NPC323244
Remote Similarity 0.6188 NPC40779
Remote Similarity 0.6188 NPC41174
Remote Similarity 0.6188 NPC149265
Remote Similarity 0.6186 NPC470323
Remote Similarity 0.6185 NPC470440
Remote Similarity 0.6185 NPC86288
Remote Similarity 0.6178 NPC477120
Remote Similarity 0.6173 NPC146373
Remote Similarity 0.6173 NPC245244
Remote Similarity 0.6173 NPC166424
Remote Similarity 0.6171 NPC2272
Remote Similarity 0.617 NPC477042
Remote Similarity 0.617 NPC314919
Remote Similarity 0.6158 NPC284678
Remote Similarity 0.6158 NPC232798
Remote Similarity 0.6157 NPC935
Remote Similarity 0.6157 NPC267078
Remote Similarity 0.615 NPC151939
Remote Similarity 0.615 NPC68354
Remote Similarity 0.6145 NPC471322
Remote Similarity 0.614 NPC284635
Remote Similarity 0.614 NPC59084
Remote Similarity 0.6135 NPC250361
Remote Similarity 0.6135 NPC243319
Remote Similarity 0.6133 NPC478185
Remote Similarity 0.6129 NPC471579
Remote Similarity 0.6129 NPC474357
Remote Similarity 0.6129 NPC293216
Remote Similarity 0.6126 NPC163421
Remote Similarity 0.6126 NPC188387
Remote Similarity 0.6125 NPC48564
Remote Similarity 0.6125 NPC182570
Remote Similarity 0.6125 NPC265605
Remote Similarity 0.6121 NPC473587
Remote Similarity 0.612 NPC54988
Remote Similarity 0.6117 NPC176199
Remote Similarity 0.6117 NPC215795
Remote Similarity 0.6117 NPC11126
Remote Similarity 0.6117 NPC213468
Remote Similarity 0.6111 NPC9639
Remote Similarity 0.6111 NPC477591
Remote Similarity 0.6108 NPC470498
Remote Similarity 0.6105 NPC473868
Remote Similarity 0.6105 NPC63157
Remote Similarity 0.6105 NPC102755
Remote Similarity 0.6105 NPC197068
Remote Similarity 0.6105 NPC48938
Remote Similarity 0.6105 NPC476454
Remote Similarity 0.6104 NPC327613
Remote Similarity 0.6103 NPC304187
Remote Similarity 0.6103 NPC315617
Remote Similarity 0.6103 NPC477166

Drug Structure

External Identifiers

TTD   DNC000648
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   213041
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  230.12
ALogP  0.9088
MLogP  2.67
XLogP  3.801
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  28.68
RO5 Violation  0