Drug Information

Drug ID:  NPD782
Drug Name:  Fenfluramine
Molecular Formula:  C12H16F3N
Canonical SMILES:  CCNC(Cc1cccc(c1)C(F)(F)F)C
Standard InCHI:  InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
Standard InCHIKey:  DBGIVFWFUFKIQN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD782

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 0.8642 NPC139658
Intermediate Similarity 0.8395 NPC122327
Intermediate Similarity 0.8395 NPC112609
Intermediate Similarity 0.8395 NPC113000
Intermediate Similarity 0.8313 NPC290638
Intermediate Similarity 0.8095 NPC325662
Intermediate Similarity 0.8095 NPC98269
Intermediate Similarity 0.8072 NPC276699
Intermediate Similarity 0.8068 NPC169016
Intermediate Similarity 0.8025 NPC229235
Intermediate Similarity 0.8 NPC12857
Intermediate Similarity 0.7931 NPC231986
Intermediate Similarity 0.7789 NPC329430
Intermediate Similarity 0.7753 NPC119677
Intermediate Similarity 0.7692 NPC258046
Intermediate Similarity 0.7684 NPC469330
Intermediate Similarity 0.7667 NPC133162
Intermediate Similarity 0.7558 NPC271642
Intermediate Similarity 0.7442 NPC98976
Intermediate Similarity 0.7381 NPC219246
Intermediate Similarity 0.7292 NPC470926
Intermediate Similarity 0.7234 NPC60408
Intermediate Similarity 0.7209 NPC244738
Intermediate Similarity 0.7174 NPC104070
Intermediate Similarity 0.7143 NPC7067
Intermediate Similarity 0.7037 NPC150196
Intermediate Similarity 0.7 NPC471319
Intermediate Similarity 0.7 NPC471320
Remote Similarity 0.699 NPC239854
Remote Similarity 0.6989 NPC474088
Remote Similarity 0.6988 NPC32312
Remote Similarity 0.6914 NPC147062
Remote Similarity 0.6867 NPC45756
Remote Similarity 0.6857 NPC150254
Remote Similarity 0.6857 NPC226778
Remote Similarity 0.6857 NPC304761
Remote Similarity 0.6857 NPC147000
Remote Similarity 0.6829 NPC210849
Remote Similarity 0.6804 NPC111233
Remote Similarity 0.68 NPC246757
Remote Similarity 0.68 NPC291070
Remote Similarity 0.6792 NPC67043
Remote Similarity 0.679 NPC64270
Remote Similarity 0.6742 NPC299134
Remote Similarity 0.6733 NPC108339
Remote Similarity 0.6731 NPC474582
Remote Similarity 0.6726 NPC313673
Remote Similarity 0.67 NPC473661
Remote Similarity 0.6698 NPC275467
Remote Similarity 0.6697 NPC24777
Remote Similarity 0.6667 NPC327226
Remote Similarity 0.6667 NPC120441
Remote Similarity 0.6667 NPC65873
Remote Similarity 0.6667 NPC300345
Remote Similarity 0.6667 NPC212114
Remote Similarity 0.6636 NPC474695
Remote Similarity 0.6634 NPC322040
Remote Similarity 0.6633 NPC30445
Remote Similarity 0.6628 NPC6107
Remote Similarity 0.6627 NPC54368
Remote Similarity 0.6627 NPC135924
Remote Similarity 0.6627 NPC248705
Remote Similarity 0.6606 NPC77294
Remote Similarity 0.6593 NPC110264
Remote Similarity 0.6588 NPC155172
Remote Similarity 0.6588 NPC198023
Remote Similarity 0.6549 NPC113099
Remote Similarity 0.6548 NPC29680
Remote Similarity 0.6543 NPC269586
Remote Similarity 0.6543 NPC198841
Remote Similarity 0.6538 NPC226096
Remote Similarity 0.6538 NPC108606
Remote Similarity 0.6538 NPC303611
Remote Similarity 0.6538 NPC290515
Remote Similarity 0.6538 NPC322598
Remote Similarity 0.6538 NPC164514
Remote Similarity 0.6531 NPC305602
Remote Similarity 0.6531 NPC473031
Remote Similarity 0.6531 NPC17497
Remote Similarity 0.6512 NPC113837
Remote Similarity 0.6512 NPC178527
Remote Similarity 0.6512 NPC289915
Remote Similarity 0.65 NPC316108
Remote Similarity 0.6477 NPC139416
Remote Similarity 0.6477 NPC246822
Remote Similarity 0.6477 NPC213570
Remote Similarity 0.6471 NPC50266
Remote Similarity 0.6471 NPC471309
Remote Similarity 0.6471 NPC88566
Remote Similarity 0.6466 NPC320656
Remote Similarity 0.6465 NPC12429
Remote Similarity 0.6444 NPC54269
Remote Similarity 0.6442 NPC122493
Remote Similarity 0.6442 NPC10781
Remote Similarity 0.6442 NPC293628
Remote Similarity 0.6429 NPC238023
Remote Similarity 0.6429 NPC246588
Remote Similarity 0.6429 NPC310758
Remote Similarity 0.6429 NPC203076
Remote Similarity 0.6422 NPC327481
Remote Similarity 0.642 NPC149436
Remote Similarity 0.642 NPC277704
Remote Similarity 0.6415 NPC228400
Remote Similarity 0.6415 NPC214200
Remote Similarity 0.6408 NPC303045
Remote Similarity 0.6408 NPC161972
Remote Similarity 0.64 NPC470877
Remote Similarity 0.64 NPC176858
Remote Similarity 0.6386 NPC8235
Remote Similarity 0.6364 NPC471638
Remote Similarity 0.6355 NPC291610
Remote Similarity 0.6354 NPC14326
Remote Similarity 0.6353 NPC22786
Remote Similarity 0.6348 NPC101139
Remote Similarity 0.6346 NPC25565
Remote Similarity 0.6337 NPC191444
Remote Similarity 0.6337 NPC121872
Remote Similarity 0.6337 NPC141139
Remote Similarity 0.6337 NPC74936
Remote Similarity 0.6337 NPC471307
Remote Similarity 0.6337 NPC78041
Remote Similarity 0.6337 NPC159178
Remote Similarity 0.6337 NPC209764
Remote Similarity 0.6333 NPC1008
Remote Similarity 0.6333 NPC226999
Remote Similarity 0.6333 NPC193578
Remote Similarity 0.6333 NPC87099
Remote Similarity 0.6333 NPC135433
Remote Similarity 0.6333 NPC39799
Remote Similarity 0.6333 NPC158028
Remote Similarity 0.6333 NPC280135
Remote Similarity 0.633 NPC473418
Remote Similarity 0.633 NPC167336
Remote Similarity 0.6316 NPC475573
Remote Similarity 0.6316 NPC475289
Remote Similarity 0.631 NPC169110
Remote Similarity 0.6292 NPC200936
Remote Similarity 0.6289 NPC134825
Remote Similarity 0.6286 NPC475439
Remote Similarity 0.6286 NPC473501
Remote Similarity 0.6286 NPC324569
Remote Similarity 0.6286 NPC472258
Remote Similarity 0.6279 NPC113670
Remote Similarity 0.6275 NPC226438
Remote Similarity 0.6275 NPC245259
Remote Similarity 0.6273 NPC473498
Remote Similarity 0.625 NPC20142
Remote Similarity 0.625 NPC215351
Remote Similarity 0.625 NPC267443
Remote Similarity 0.6222 NPC251490
Remote Similarity 0.621 NPC40488
Remote Similarity 0.62 NPC262295
Remote Similarity 0.619 NPC36357
Remote Similarity 0.619 NPC114327
Remote Similarity 0.617 NPC249018
Remote Similarity 0.617 NPC3190
Remote Similarity 0.6167 NPC475915
Remote Similarity 0.6167 NPC71684
Remote Similarity 0.6163 NPC71009
Remote Similarity 0.6163 NPC66517
Remote Similarity 0.6162 NPC3210
Remote Similarity 0.6154 NPC474974
Remote Similarity 0.6154 NPC71140
Remote Similarity 0.6147 NPC164859
Remote Similarity 0.614 NPC275410
Remote Similarity 0.6132 NPC311242
Remote Similarity 0.6129 NPC307195
Remote Similarity 0.6106 NPC292758
Remote Similarity 0.6106 NPC65855
Remote Similarity 0.6095 NPC58674
Remote Similarity 0.6095 NPC256452
Remote Similarity 0.6092 NPC21211
Remote Similarity 0.6091 NPC469974
Remote Similarity 0.6087 NPC1901
Remote Similarity 0.6087 NPC474584
Remote Similarity 0.6078 NPC173991
Remote Similarity 0.6058 NPC108800
Remote Similarity 0.6053 NPC319579
Remote Similarity 0.6048 NPC119326
Remote Similarity 0.6044 NPC72670
Remote Similarity 0.6042 NPC159661
Remote Similarity 0.6036 NPC476198
Remote Similarity 0.6023 NPC291066
Remote Similarity 0.6022 NPC96835
Remote Similarity 0.6022 NPC258492
Remote Similarity 0.6019 NPC12730
Remote Similarity 0.6019 NPC125732
Remote Similarity 0.6018 NPC302790
Remote Similarity 0.6018 NPC97811
Remote Similarity 0.6016 NPC328267
Remote Similarity 0.6 NPC329011
Remote Similarity 0.6 NPC22760
Remote Similarity 0.5984 NPC126458
Remote Similarity 0.5983 NPC246904
Remote Similarity 0.5979 NPC192623
Remote Similarity 0.5979 NPC315216
Remote Similarity 0.5978 NPC121708
Remote Similarity 0.5978 NPC125144
Remote Similarity 0.5977 NPC200745
Remote Similarity 0.5963 NPC289381

Drug Structure

External Identifiers

TTD   DAP001478
DrugBank   DB00574
ChEMBL   CHEMBL87493
IUPHAR/BPS   4613
PharmaGKB   PA449592
KEGG Drug  
PubChem CID   3337
ChEBI   5000
CAS Number  458-24-2

Drug Properties

Molecular Weight  231.12
ALogP  1.0937
MLogP  2.34
XLogP  4.876
HDA  1
HBD  1
Rotatable Bonds  10
TPSA  12.03
RO5 Violation  0