Drug Information

Drug ID:  NPD4980
Drug Name:  Trifluperidol
Molecular Formula:  C22H23F4NO2
Canonical SMILES:  Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1cccc(c1)C(F)(F)F
Standard InCHI:  InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
Standard InCHIKey:  GPMXUUPHFNMNDH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4980

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 0.8504 NPC285394
Intermediate Similarity 0.763 NPC305717
Intermediate Similarity 0.7561 NPC167336
Intermediate Similarity 0.746 NPC65855
Intermediate Similarity 0.746 NPC292758
Intermediate Similarity 0.7394 NPC316906
Intermediate Similarity 0.7357 NPC313663
Intermediate Similarity 0.7266 NPC474057
Intermediate Similarity 0.7231 NPC196673
Intermediate Similarity 0.72 NPC249067
Intermediate Similarity 0.7132 NPC26285
Intermediate Similarity 0.712 NPC329556
Intermediate Similarity 0.712 NPC255676
Intermediate Similarity 0.7109 NPC318327
Intermediate Similarity 0.7077 NPC66208
Intermediate Similarity 0.7068 NPC158157
Intermediate Similarity 0.7059 NPC472981
Intermediate Similarity 0.705 NPC65310
Intermediate Similarity 0.7045 NPC186933
Intermediate Similarity 0.7008 NPC134120
Intermediate Similarity 0.7008 NPC105899
Intermediate Similarity 0.7007 NPC269923
Intermediate Similarity 0.7007 NPC167323
Remote Similarity 0.6992 NPC322197
Remote Similarity 0.6992 NPC289201
Remote Similarity 0.6986 NPC153007
Remote Similarity 0.6972 NPC120251
Remote Similarity 0.6944 NPC474473
Remote Similarity 0.6923 NPC158854
Remote Similarity 0.6923 NPC257390
Remote Similarity 0.6917 NPC93181
Remote Similarity 0.6906 NPC85511
Remote Similarity 0.6905 NPC25458
Remote Similarity 0.6899 NPC211439
Remote Similarity 0.6899 NPC141523
Remote Similarity 0.6897 NPC273907
Remote Similarity 0.6897 NPC118099
Remote Similarity 0.6897 NPC293377
Remote Similarity 0.6897 NPC260045
Remote Similarity 0.6897 NPC9687
Remote Similarity 0.6897 NPC475318
Remote Similarity 0.6897 NPC474787
Remote Similarity 0.6897 NPC474811
Remote Similarity 0.6897 NPC90194
Remote Similarity 0.6897 NPC76785
Remote Similarity 0.6897 NPC473360
Remote Similarity 0.6897 NPC476102
Remote Similarity 0.6897 NPC475598
Remote Similarity 0.6897 NPC474855
Remote Similarity 0.6897 NPC151706
Remote Similarity 0.6897 NPC79465
Remote Similarity 0.6897 NPC49577
Remote Similarity 0.6884 NPC213126
Remote Similarity 0.6884 NPC291027
Remote Similarity 0.6884 NPC169485
Remote Similarity 0.6884 NPC84281
Remote Similarity 0.6884 NPC317474
Remote Similarity 0.687 NPC116842
Remote Similarity 0.6867 NPC297322
Remote Similarity 0.685 NPC247976
Remote Similarity 0.6822 NPC69332
Remote Similarity 0.6822 NPC95178
Remote Similarity 0.6822 NPC29989
Remote Similarity 0.6818 NPC186128
Remote Similarity 0.6803 NPC281104
Remote Similarity 0.68 NPC229242
Remote Similarity 0.6794 NPC88141
Remote Similarity 0.6791 NPC474095
Remote Similarity 0.6791 NPC274839
Remote Similarity 0.6774 NPC68967
Remote Similarity 0.6772 NPC304873
Remote Similarity 0.6761 NPC474106
Remote Similarity 0.6746 NPC228435
Remote Similarity 0.6746 NPC217621
Remote Similarity 0.6742 NPC475002
Remote Similarity 0.6742 NPC95126
Remote Similarity 0.6739 NPC232958
Remote Similarity 0.6738 NPC164014
Remote Similarity 0.6718 NPC17525
Remote Similarity 0.6716 NPC242136
Remote Similarity 0.6716 NPC471721
Remote Similarity 0.6715 NPC249435
Remote Similarity 0.6713 NPC115797
Remote Similarity 0.6713 NPC103605
Remote Similarity 0.6713 NPC81092
Remote Similarity 0.6713 NPC51448
Remote Similarity 0.6692 NPC70843
Remote Similarity 0.6692 NPC100767
Remote Similarity 0.6692 NPC471188
Remote Similarity 0.6692 NPC292834
Remote Similarity 0.6692 NPC79496
Remote Similarity 0.6691 NPC216216
Remote Similarity 0.6667 NPC8931
Remote Similarity 0.6667 NPC120693
Remote Similarity 0.6667 NPC306740
Remote Similarity 0.6667 NPC95172
Remote Similarity 0.6667 NPC48248
Remote Similarity 0.6667 NPC261573
Remote Similarity 0.6667 NPC33011
Remote Similarity 0.6667 NPC96024
Remote Similarity 0.6644 NPC471316
Remote Similarity 0.6643 NPC295034
Remote Similarity 0.6643 NPC120545
Remote Similarity 0.6642 NPC286222
Remote Similarity 0.6642 NPC143768
Remote Similarity 0.6641 NPC284477
Remote Similarity 0.6641 NPC249811
Remote Similarity 0.6639 NPC62765
Remote Similarity 0.662 NPC295664
Remote Similarity 0.662 NPC142956
Remote Similarity 0.6617 NPC265513
Remote Similarity 0.6617 NPC21162
Remote Similarity 0.6617 NPC210089
Remote Similarity 0.6615 NPC172483
Remote Similarity 0.6613 NPC261181
Remote Similarity 0.6613 NPC34243
Remote Similarity 0.6599 NPC266425
Remote Similarity 0.6596 NPC91478
Remote Similarity 0.6596 NPC300274
Remote Similarity 0.6594 NPC184527
Remote Similarity 0.6594 NPC318173
Remote Similarity 0.6589 NPC274443
Remote Similarity 0.6587 NPC253423
Remote Similarity 0.6567 NPC158282
Remote Similarity 0.6567 NPC268388
Remote Similarity 0.6566 NPC470548
Remote Similarity 0.6565 NPC188677
Remote Similarity 0.6565 NPC45033
Remote Similarity 0.6562 NPC282895
Remote Similarity 0.656 NPC206764
Remote Similarity 0.6552 NPC69496
Remote Similarity 0.6552 NPC21305
Remote Similarity 0.6549 NPC375356
Remote Similarity 0.6549 NPC471466
Remote Similarity 0.6549 NPC307020
Remote Similarity 0.6547 NPC188814
Remote Similarity 0.6547 NPC195262
Remote Similarity 0.6544 NPC228936
Remote Similarity 0.6544 NPC476357
Remote Similarity 0.6544 NPC285350
Remote Similarity 0.6538 NPC329282
Remote Similarity 0.6535 NPC329387
Remote Similarity 0.6535 NPC317280
Remote Similarity 0.6533 NPC249899
Remote Similarity 0.6529 NPC470317
Remote Similarity 0.6529 NPC194326
Remote Similarity 0.6528 NPC254492
Remote Similarity 0.6528 NPC62952
Remote Similarity 0.6522 NPC228318
Remote Similarity 0.6519 NPC470253
Remote Similarity 0.6519 NPC93287
Remote Similarity 0.6516 NPC2672
Remote Similarity 0.6516 NPC476444
Remote Similarity 0.6515 NPC203732
Remote Similarity 0.6515 NPC226699
Remote Similarity 0.6515 NPC34715
Remote Similarity 0.6512 NPC244427
Remote Similarity 0.6512 NPC222390
Remote Similarity 0.6508 NPC61944
Remote Similarity 0.6507 NPC474998
Remote Similarity 0.6507 NPC34414
Remote Similarity 0.6507 NPC276238
Remote Similarity 0.6507 NPC262819
Remote Similarity 0.6507 NPC146647
Remote Similarity 0.6503 NPC173978
Remote Similarity 0.6503 NPC199273
Remote Similarity 0.6503 NPC474847
Remote Similarity 0.65 NPC123476
Remote Similarity 0.65 NPC27833
Remote Similarity 0.6496 NPC23402
Remote Similarity 0.649 NPC472243
Remote Similarity 0.649 NPC150712
Remote Similarity 0.6486 NPC58685
Remote Similarity 0.6484 NPC325497
Remote Similarity 0.6483 NPC72158
Remote Similarity 0.6483 NPC78364
Remote Similarity 0.6483 NPC23126
Remote Similarity 0.6483 NPC84672
Remote Similarity 0.6483 NPC116057
Remote Similarity 0.6483 NPC190043
Remote Similarity 0.6483 NPC69424
Remote Similarity 0.6483 NPC169250
Remote Similarity 0.6483 NPC162612
Remote Similarity 0.6483 NPC469666
Remote Similarity 0.6483 NPC103356
Remote Similarity 0.6483 NPC72667
Remote Similarity 0.6483 NPC100067
Remote Similarity 0.6483 NPC266689
Remote Similarity 0.6483 NPC30501
Remote Similarity 0.6483 NPC98254
Remote Similarity 0.6483 NPC105157
Remote Similarity 0.6483 NPC176130
Remote Similarity 0.6479 NPC223351
Remote Similarity 0.6475 NPC161943
Remote Similarity 0.6475 NPC474890
Remote Similarity 0.6475 NPC273282
Remote Similarity 0.6471 NPC908
Remote Similarity 0.6471 NPC138438
Remote Similarity 0.6466 NPC224584
Remote Similarity 0.6463 NPC55949

Drug Structure

External Identifiers

TTD   DCL001008
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5567
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  409.17
ALogP  -0.2124
MLogP  3.11
XLogP  5.726
HDA  3
HBD  1
Rotatable Bonds  12
TPSA  40.54
RO5 Violation  1