Drug Information

Drug ID:  NPD770
Drug Name:  manifaxine
Molecular Formula:  C12H15F2NO2
Canonical SMILES:  C[C@@H]1N[C@H](C)CO[C@@]1(O)c1cc(F)cc(c1)F
Standard InCHI:  InChI=1S/C12H15F2NO2/c1-7-6-17-12(16,8(2)15-7)9-3-10(13)5-11(14)4-9/h3-5,7-8,15-16H,6H2,1-2H3/t7-,8+,12-/m1/s1
Standard InCHIKey:  OZGPVYJHWWPEFT-RGNHYFCHSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD770

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
High Similarity 0.8761 NPC24777
Intermediate Similarity 0.8158 NPC304761
Intermediate Similarity 0.8158 NPC150254
Intermediate Similarity 0.8158 NPC147000
Intermediate Similarity 0.8158 NPC226778
Intermediate Similarity 0.7982 NPC327226
Intermediate Similarity 0.7719 NPC303611
Intermediate Similarity 0.7719 NPC164514
Intermediate Similarity 0.7719 NPC226096
Intermediate Similarity 0.7719 NPC108606
Intermediate Similarity 0.7719 NPC290515
Intermediate Similarity 0.7586 NPC214200
Intermediate Similarity 0.7586 NPC228400
Intermediate Similarity 0.7456 NPC215351
Intermediate Similarity 0.7456 NPC20142
Intermediate Similarity 0.7398 NPC269340
Intermediate Similarity 0.7377 NPC65855
Intermediate Similarity 0.7377 NPC292758
Intermediate Similarity 0.7302 NPC10286
Intermediate Similarity 0.7302 NPC213
Intermediate Similarity 0.7188 NPC137096
Intermediate Similarity 0.7143 NPC316797
Intermediate Similarity 0.7113 NPC204546
Intermediate Similarity 0.709 NPC141739
Intermediate Similarity 0.709 NPC320242
Intermediate Similarity 0.709 NPC136112
Remote Similarity 0.6985 NPC311753
Remote Similarity 0.694 NPC307020
Remote Similarity 0.694 NPC328267
Remote Similarity 0.6912 NPC322366
Remote Similarity 0.6911 NPC211551
Remote Similarity 0.6911 NPC67043
Remote Similarity 0.6906 NPC97870
Remote Similarity 0.6906 NPC247018
Remote Similarity 0.6906 NPC307123
Remote Similarity 0.6899 NPC101139
Remote Similarity 0.6894 NPC326232
Remote Similarity 0.688 NPC97811
Remote Similarity 0.6875 NPC26524
Remote Similarity 0.6838 NPC65310
Remote Similarity 0.6825 NPC145638
Remote Similarity 0.6825 NPC290566
Remote Similarity 0.6818 NPC14950
Remote Similarity 0.6791 NPC26285
Remote Similarity 0.6765 NPC474479
Remote Similarity 0.6739 NPC469666
Remote Similarity 0.6735 NPC294249
Remote Similarity 0.6719 NPC21890
Remote Similarity 0.6691 NPC217277
Remote Similarity 0.669 NPC470441
Remote Similarity 0.6667 NPC323775
Remote Similarity 0.6667 NPC231163
Remote Similarity 0.6667 NPC236347
Remote Similarity 0.6667 NPC186469
Remote Similarity 0.6667 NPC318591
Remote Similarity 0.6667 NPC300020
Remote Similarity 0.6667 NPC302171
Remote Similarity 0.6667 NPC33338
Remote Similarity 0.6667 NPC208757
Remote Similarity 0.6667 NPC158900
Remote Similarity 0.6643 NPC478140
Remote Similarity 0.664 NPC42383
Remote Similarity 0.6639 NPC125732
Remote Similarity 0.6619 NPC40488
Remote Similarity 0.6618 NPC476278
Remote Similarity 0.6617 NPC85276
Remote Similarity 0.6615 NPC474544
Remote Similarity 0.6615 NPC1986
Remote Similarity 0.6613 NPC68055
Remote Similarity 0.6597 NPC77992
Remote Similarity 0.6591 NPC188867
Remote Similarity 0.6591 NPC281686
Remote Similarity 0.6591 NPC106551
Remote Similarity 0.6585 NPC289381
Remote Similarity 0.6585 NPC155847
Remote Similarity 0.6569 NPC285394
Remote Similarity 0.6567 NPC283760
Remote Similarity 0.6555 NPC265521
Remote Similarity 0.6552 NPC253429
Remote Similarity 0.6544 NPC160493
Remote Similarity 0.6522 NPC4974
Remote Similarity 0.6522 NPC474847
Remote Similarity 0.6519 NPC476183
Remote Similarity 0.6519 NPC321133
Remote Similarity 0.6513 NPC60538
Remote Similarity 0.6513 NPC207824
Remote Similarity 0.6503 NPC474473
Remote Similarity 0.6503 NPC160692
Remote Similarity 0.6496 NPC298486
Remote Similarity 0.6496 NPC304760
Remote Similarity 0.6493 NPC317784
Remote Similarity 0.6493 NPC142638
Remote Similarity 0.6493 NPC5932
Remote Similarity 0.6489 NPC120217
Remote Similarity 0.6475 NPC122493
Remote Similarity 0.6475 NPC293628
Remote Similarity 0.6475 NPC10781
Remote Similarity 0.6471 NPC56634
Remote Similarity 0.6471 NPC476281
Remote Similarity 0.6471 NPC318357
Remote Similarity 0.6471 NPC316896
Remote Similarity 0.6471 NPC476184
Remote Similarity 0.6463 NPC212850
Remote Similarity 0.6463 NPC189724
Remote Similarity 0.6463 NPC83289
Remote Similarity 0.6449 NPC140359
Remote Similarity 0.6449 NPC211218
Remote Similarity 0.6449 NPC13020
Remote Similarity 0.6446 NPC58674
Remote Similarity 0.6444 NPC239697
Remote Similarity 0.6444 NPC43275
Remote Similarity 0.6439 NPC118202
Remote Similarity 0.6434 NPC149379
Remote Similarity 0.6429 NPC277669
Remote Similarity 0.6429 NPC76213
Remote Similarity 0.6423 NPC213126
Remote Similarity 0.6423 NPC317474
Remote Similarity 0.6423 NPC84281
Remote Similarity 0.6423 NPC142577
Remote Similarity 0.6423 NPC169485
Remote Similarity 0.6423 NPC291027
Remote Similarity 0.6404 NPC99394
Remote Similarity 0.6404 NPC87299
Remote Similarity 0.6404 NPC329319
Remote Similarity 0.6404 NPC103326
Remote Similarity 0.6403 NPC62101
Remote Similarity 0.6403 NPC95733
Remote Similarity 0.6397 NPC263835
Remote Similarity 0.6397 NPC190663
Remote Similarity 0.6379 NPC58616
Remote Similarity 0.6378 NPC37714
Remote Similarity 0.6378 NPC152384
Remote Similarity 0.6372 NPC309279
Remote Similarity 0.6364 NPC246079
Remote Similarity 0.6364 NPC326599
Remote Similarity 0.6364 NPC329595
Remote Similarity 0.6357 NPC124776
Remote Similarity 0.6357 NPC29477
Remote Similarity 0.6351 NPC168861
Remote Similarity 0.635 NPC273830
Remote Similarity 0.6349 NPC178902
Remote Similarity 0.6346 NPC477564
Remote Similarity 0.6346 NPC2295
Remote Similarity 0.6346 NPC233926
Remote Similarity 0.6341 NPC324569
Remote Similarity 0.6338 NPC69496
Remote Similarity 0.6333 NPC178466
Remote Similarity 0.6333 NPC63628
Remote Similarity 0.6333 NPC226438
Remote Similarity 0.6333 NPC245259
Remote Similarity 0.6331 NPC476241
Remote Similarity 0.6331 NPC476260
Remote Similarity 0.6328 NPC327481
Remote Similarity 0.6327 NPC214988
Remote Similarity 0.6319 NPC245836
Remote Similarity 0.6319 NPC88667
Remote Similarity 0.6319 NPC233910
Remote Similarity 0.6319 NPC470392
Remote Similarity 0.6316 NPC165212
Remote Similarity 0.6316 NPC245974
Remote Similarity 0.6316 NPC117180
Remote Similarity 0.6312 NPC199738
Remote Similarity 0.6312 NPC210950
Remote Similarity 0.6312 NPC218323
Remote Similarity 0.6311 NPC161972
Remote Similarity 0.6311 NPC303045
Remote Similarity 0.6308 NPC158854
Remote Similarity 0.6304 NPC27581
Remote Similarity 0.6304 NPC211992
Remote Similarity 0.6304 NPC474862
Remote Similarity 0.6301 NPC237227
Remote Similarity 0.6299 NPC473341
Remote Similarity 0.6296 NPC216605
Remote Similarity 0.6296 NPC120075
Remote Similarity 0.6296 NPC266389
Remote Similarity 0.6296 NPC122245
Remote Similarity 0.6293 NPC304538
Remote Similarity 0.6291 NPC247298
Remote Similarity 0.6288 NPC146422
Remote Similarity 0.6286 NPC476179
Remote Similarity 0.6286 NPC476125
Remote Similarity 0.6284 NPC219233
Remote Similarity 0.6284 NPC241086
Remote Similarity 0.6284 NPC197239
Remote Similarity 0.6284 NPC259800
Remote Similarity 0.6284 NPC170170
Remote Similarity 0.6284 NPC211468
Remote Similarity 0.6284 NPC328137
Remote Similarity 0.6284 NPC282087
Remote Similarity 0.6284 NPC318984
Remote Similarity 0.6284 NPC326860
Remote Similarity 0.6284 NPC318028
Remote Similarity 0.6284 NPC317741
Remote Similarity 0.6282 NPC206372
Remote Similarity 0.6282 NPC203424
Remote Similarity 0.6277 NPC169207
Remote Similarity 0.6277 NPC118522
Remote Similarity 0.6277 NPC80150
Remote Similarity 0.6277 NPC115627
Remote Similarity 0.6276 NPC267237

Drug Structure

External Identifiers

TTD   DIB014579
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  243.11
ALogP  -0.042
MLogP  2.23
XLogP  2.425
HDA  3
HBD  2
Rotatable Bonds  6
TPSA  41.49
RO5 Violation  0