Drug Information

Drug ID:  NPD771
Drug Name:  Bicifadine
Molecular Formula:  C12H15N
Canonical SMILES:  Cc1ccc(cc1)C12CNCC2C1
Standard InCHI:  InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3
Standard InCHIKey:  OFYVIGTWSQPCLF-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD771

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 0.8434 NPC139658
Intermediate Similarity 0.8313 NPC276699
Intermediate Similarity 0.8118 NPC290638
Intermediate Similarity 0.7831 NPC229235
Intermediate Similarity 0.7816 NPC12857
Intermediate Similarity 0.7765 NPC113000
Intermediate Similarity 0.7765 NPC122327
Intermediate Similarity 0.7765 NPC112609
Intermediate Similarity 0.7753 NPC231986
Intermediate Similarity 0.7717 NPC258046
Intermediate Similarity 0.7692 NPC169016
Intermediate Similarity 0.7634 NPC60408
Intermediate Similarity 0.75 NPC133162
Intermediate Similarity 0.75 NPC325662
Intermediate Similarity 0.75 NPC98269
Intermediate Similarity 0.7273 NPC98976
Intermediate Similarity 0.7273 NPC329430
Intermediate Similarity 0.7209 NPC219246
Intermediate Similarity 0.7204 NPC104070
Intermediate Similarity 0.7191 NPC271642
Intermediate Similarity 0.7172 NPC7067
Intermediate Similarity 0.7172 NPC469330
Intermediate Similarity 0.7143 NPC178527
Intermediate Similarity 0.7108 NPC88566
Intermediate Similarity 0.7045 NPC244738
Intermediate Similarity 0.7024 NPC198023
Intermediate Similarity 0.7021 NPC119677
Remote Similarity 0.6988 NPC29680
Remote Similarity 0.6923 NPC474582
Remote Similarity 0.6867 NPC248705
Remote Similarity 0.6867 NPC54368
Remote Similarity 0.6867 NPC135924
Remote Similarity 0.6842 NPC474088
Remote Similarity 0.6837 NPC30445
Remote Similarity 0.6822 NPC474695
Remote Similarity 0.68 NPC470926
Remote Similarity 0.6699 NPC471319
Remote Similarity 0.6699 NPC471320
Remote Similarity 0.6667 NPC6107
Remote Similarity 0.6667 NPC267443
Remote Similarity 0.6667 NPC322040
Remote Similarity 0.663 NPC110264
Remote Similarity 0.6628 NPC155172
Remote Similarity 0.6628 NPC32312
Remote Similarity 0.6627 NPC8235
Remote Similarity 0.6609 NPC313673
Remote Similarity 0.6593 NPC299134
Remote Similarity 0.6559 NPC249018
Remote Similarity 0.6559 NPC3190
Remote Similarity 0.6552 NPC113837
Remote Similarity 0.6552 NPC289915
Remote Similarity 0.6542 NPC327226
Remote Similarity 0.6512 NPC45756
Remote Similarity 0.6506 NPC212114
Remote Similarity 0.6506 NPC120441
Remote Similarity 0.6506 NPC300345
Remote Similarity 0.6506 NPC65873
Remote Similarity 0.6484 NPC54269
Remote Similarity 0.6471 NPC310758
Remote Similarity 0.6471 NPC150196
Remote Similarity 0.6471 NPC210849
Remote Similarity 0.6471 NPC238023
Remote Similarity 0.6442 NPC108339
Remote Similarity 0.6422 NPC304761
Remote Similarity 0.6422 NPC275467
Remote Similarity 0.6422 NPC226778
Remote Similarity 0.6422 NPC147000
Remote Similarity 0.6422 NPC150254
Remote Similarity 0.6421 NPC159661
Remote Similarity 0.6408 NPC473661
Remote Similarity 0.6395 NPC66517
Remote Similarity 0.6389 NPC239854
Remote Similarity 0.6386 NPC198841
Remote Similarity 0.6386 NPC269586
Remote Similarity 0.6374 NPC39799
Remote Similarity 0.6374 NPC135433
Remote Similarity 0.6374 NPC1008
Remote Similarity 0.6374 NPC226999
Remote Similarity 0.6374 NPC158028
Remote Similarity 0.6374 NPC280135
Remote Similarity 0.6374 NPC193578
Remote Similarity 0.6374 NPC87099
Remote Similarity 0.6371 NPC40488
Remote Similarity 0.6364 NPC67043
Remote Similarity 0.6356 NPC264580
Remote Similarity 0.6353 NPC147062
Remote Similarity 0.6346 NPC474974
Remote Similarity 0.6346 NPC291070
Remote Similarity 0.6346 NPC246757
Remote Similarity 0.6333 NPC473206
Remote Similarity 0.6333 NPC200936
Remote Similarity 0.6333 NPC475915
Remote Similarity 0.6322 NPC113670
Remote Similarity 0.6322 NPC50266
Remote Similarity 0.6322 NPC21211
Remote Similarity 0.6321 NPC472258
Remote Similarity 0.6304 NPC212463
Remote Similarity 0.629 NPC145754
Remote Similarity 0.6283 NPC24777
Remote Similarity 0.6279 NPC246588
Remote Similarity 0.6275 NPC176858
Remote Similarity 0.6265 NPC149436
Remote Similarity 0.6265 NPC277704
Remote Similarity 0.6239 NPC101139
Remote Similarity 0.6238 NPC17497
Remote Similarity 0.6238 NPC305602
Remote Similarity 0.6238 NPC473031
Remote Similarity 0.6235 NPC64270
Remote Similarity 0.6224 NPC14326
Remote Similarity 0.6224 NPC230068
Remote Similarity 0.6214 NPC316108
Remote Similarity 0.6214 NPC191444
Remote Similarity 0.621 NPC119326
Remote Similarity 0.6207 NPC71009
Remote Similarity 0.6186 NPC475289
Remote Similarity 0.6186 NPC475573
Remote Similarity 0.6176 NPC111233
Remote Similarity 0.6176 NPC12429
Remote Similarity 0.617 NPC307195
Remote Similarity 0.6163 NPC169110
Remote Similarity 0.6154 NPC246904
Remote Similarity 0.6154 NPC297358
Remote Similarity 0.6154 NPC213570
Remote Similarity 0.6154 NPC246822
Remote Similarity 0.6154 NPC139416
Remote Similarity 0.6146 NPC103488
Remote Similarity 0.6142 NPC126458
Remote Similarity 0.6139 NPC203076
Remote Similarity 0.6132 NPC215351
Remote Similarity 0.6132 NPC20142
Remote Similarity 0.6126 NPC469974
Remote Similarity 0.6117 NPC470877
Remote Similarity 0.6111 NPC164514
Remote Similarity 0.6111 NPC226096
Remote Similarity 0.6111 NPC108606
Remote Similarity 0.6111 NPC290515
Remote Similarity 0.6111 NPC303611
Remote Similarity 0.6102 NPC473573
Remote Similarity 0.6087 NPC251490
Remote Similarity 0.6087 NPC72670
Remote Similarity 0.6087 NPC263385
Remote Similarity 0.6083 NPC320656
Remote Similarity 0.6078 NPC471638
Remote Similarity 0.6067 NPC291066
Remote Similarity 0.6067 NPC264470
Remote Similarity 0.6064 NPC96835
Remote Similarity 0.6064 NPC258492
Remote Similarity 0.6058 NPC209764
Remote Similarity 0.6058 NPC121872
Remote Similarity 0.6058 NPC78041
Remote Similarity 0.6058 NPC159178
Remote Similarity 0.6058 NPC74936
Remote Similarity 0.6058 NPC141139
Remote Similarity 0.6058 NPC471307
Remote Similarity 0.6053 NPC77294
Remote Similarity 0.6047 NPC114327
Remote Similarity 0.6047 NPC36357
Remote Similarity 0.6044 NPC22760
Remote Similarity 0.6038 NPC71140
Remote Similarity 0.6031 NPC478140
Remote Similarity 0.6023 NPC22786
Remote Similarity 0.602 NPC17408
Remote Similarity 0.602 NPC285716
Remote Similarity 0.602 NPC157055
Remote Similarity 0.6019 NPC10781
Remote Similarity 0.6019 NPC122493
Remote Similarity 0.6019 NPC293628
Remote Similarity 0.6018 NPC327481
Remote Similarity 0.6017 NPC113099
Remote Similarity 0.6 NPC134825
Remote Similarity 0.6 NPC245259
Remote Similarity 0.6 NPC158854
Remote Similarity 0.6 NPC469457
Remote Similarity 0.5981 NPC256452
Remote Similarity 0.5981 NPC303045
Remote Similarity 0.5981 NPC161972
Remote Similarity 0.598 NPC243166
Remote Similarity 0.5965 NPC55529
Remote Similarity 0.5963 NPC322598
Remote Similarity 0.5957 NPC1901
Remote Similarity 0.5952 NPC252794
Remote Similarity 0.5946 NPC329375
Remote Similarity 0.5943 NPC108800
Remote Similarity 0.5929 NPC143516
Remote Similarity 0.5926 NPC25565
Remote Similarity 0.5922 NPC262295
Remote Similarity 0.5909 NPC125732
Remote Similarity 0.5906 NPC478079
Remote Similarity 0.5897 NPC275410
Remote Similarity 0.5888 NPC471309
Remote Similarity 0.5882 NPC3210
Remote Similarity 0.5877 NPC130898
Remote Similarity 0.5877 NPC474804
Remote Similarity 0.5877 NPC474973
Remote Similarity 0.5877 NPC473498
Remote Similarity 0.5876 NPC298023
Remote Similarity 0.5872 NPC475439
Remote Similarity 0.5872 NPC324569
Remote Similarity 0.5872 NPC473501
Remote Similarity 0.5859 NPC315216

Drug Structure

External Identifiers

TTD   DCL000723
DrugBank   DB04889
ChEMBL   CHEMBL511099
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D03110
PubChem CID   47953
ChEBI  
CAS Number  71195-57-8

Drug Properties

Molecular Weight  173.12
ALogP  -0.1099
MLogP  2.67
XLogP  3.851
HDA  1
HBD  1
Rotatable Bonds  2
TPSA  12.03
RO5 Violation  0