Drug Information

Drug ID:  NPD1843
Drug Name:  Fluindione
Molecular Formula:  C15H9FO2
Canonical SMILES:  O=C1C(c2ccc(cc2)F)C(=O)c2c1cccc2
Standard InCHI:  InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
Standard InCHIKey:  NASXCEITKQITLD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1843

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 0.9111 NPC113307
High Similarity 0.8652 NPC273758
High Similarity 0.8602 NPC19256
Intermediate Similarity 0.8444 NPC215008
Intermediate Similarity 0.8427 NPC12936
Intermediate Similarity 0.8427 NPC273033
Intermediate Similarity 0.8387 NPC267262
Intermediate Similarity 0.8387 NPC157778
Intermediate Similarity 0.8384 NPC472879
Intermediate Similarity 0.8333 NPC289883
Intermediate Similarity 0.8315 NPC71664
Intermediate Similarity 0.8298 NPC418308
Intermediate Similarity 0.828 NPC43945
Intermediate Similarity 0.8229 NPC59677
Intermediate Similarity 0.8229 NPC188844
Intermediate Similarity 0.8229 NPC1682
Intermediate Similarity 0.8211 NPC173413
Intermediate Similarity 0.8211 NPC277277
Intermediate Similarity 0.8182 NPC49994
Intermediate Similarity 0.8144 NPC238219
Intermediate Similarity 0.8125 NPC133461
Intermediate Similarity 0.8125 NPC284475
Intermediate Similarity 0.8111 NPC164086
Intermediate Similarity 0.8111 NPC190567
Intermediate Similarity 0.8085 NPC69057
Intermediate Similarity 0.8041 NPC153885
Intermediate Similarity 0.8041 NPC155232
Intermediate Similarity 0.8 NPC300205
Intermediate Similarity 0.8 NPC134882
Intermediate Similarity 0.7981 NPC472700
Intermediate Similarity 0.7981 NPC472699
Intermediate Similarity 0.7979 NPC160339
Intermediate Similarity 0.7979 NPC307
Intermediate Similarity 0.7978 NPC245966
Intermediate Similarity 0.7917 NPC325709
Intermediate Similarity 0.7912 NPC95868
Intermediate Similarity 0.7905 NPC472683
Intermediate Similarity 0.7905 NPC472695
Intermediate Similarity 0.7905 NPC472696
Intermediate Similarity 0.7905 NPC472701
Intermediate Similarity 0.79 NPC265220
Intermediate Similarity 0.79 NPC239185
Intermediate Similarity 0.7889 NPC36342
Intermediate Similarity 0.7889 NPC285470
Intermediate Similarity 0.7889 NPC2785
Intermediate Similarity 0.7879 NPC472880
Intermediate Similarity 0.7879 NPC260233
Intermediate Similarity 0.7857 NPC323420
Intermediate Similarity 0.7843 NPC476993
Intermediate Similarity 0.7843 NPC109514
Intermediate Similarity 0.7826 NPC145053
Intermediate Similarity 0.7822 NPC75724
Intermediate Similarity 0.7802 NPC272260
Intermediate Similarity 0.7802 NPC139901
Intermediate Similarity 0.7802 NPC151405
Intermediate Similarity 0.78 NPC219573
Intermediate Similarity 0.78 NPC185208
Intermediate Similarity 0.7755 NPC103346
Intermediate Similarity 0.7717 NPC477703
Intermediate Similarity 0.766 NPC39600
Intermediate Similarity 0.7634 NPC73978
Intermediate Similarity 0.7596 NPC320891
Intermediate Similarity 0.7582 NPC9796
Intermediate Similarity 0.7582 NPC179726
Intermediate Similarity 0.7527 NPC285716
Intermediate Similarity 0.7527 NPC17408
Intermediate Similarity 0.7524 NPC475939
Intermediate Similarity 0.7524 NPC471829
Intermediate Similarity 0.7524 NPC474866
Intermediate Similarity 0.7524 NPC472691
Intermediate Similarity 0.75 NPC252067
Intermediate Similarity 0.7453 NPC329282
Intermediate Similarity 0.7449 NPC153308
Intermediate Similarity 0.7383 NPC134120
Intermediate Similarity 0.7379 NPC156021
Intermediate Similarity 0.7358 NPC329556
Intermediate Similarity 0.7358 NPC274443
Intermediate Similarity 0.7358 NPC247976
Intermediate Similarity 0.7339 NPC470252
Intermediate Similarity 0.7333 NPC112552
Intermediate Similarity 0.7333 NPC285679
Intermediate Similarity 0.732 NPC123476
Intermediate Similarity 0.7315 NPC185763
Intermediate Similarity 0.7315 NPC37914
Intermediate Similarity 0.7315 NPC83409
Intermediate Similarity 0.7312 NPC103488
Intermediate Similarity 0.73 NPC110420
Intermediate Similarity 0.73 NPC303967
Intermediate Similarity 0.73 NPC67585
Intermediate Similarity 0.73 NPC58872
Intermediate Similarity 0.7292 NPC324624
Intermediate Similarity 0.7292 NPC197581
Intermediate Similarity 0.7264 NPC222390
Intermediate Similarity 0.7264 NPC244427
Intermediate Similarity 0.7248 NPC203732
Intermediate Similarity 0.7245 NPC164526
Intermediate Similarity 0.7222 NPC172483
Intermediate Similarity 0.7222 NPC474910
Intermediate Similarity 0.7222 NPC74458
Intermediate Similarity 0.72 NPC298115
Intermediate Similarity 0.7196 NPC255676
Intermediate Similarity 0.7156 NPC100767
Intermediate Similarity 0.7155 NPC472697
Intermediate Similarity 0.7155 NPC472698
Intermediate Similarity 0.7111 NPC95289
Intermediate Similarity 0.7111 NPC263385
Intermediate Similarity 0.7097 NPC78500
Intermediate Similarity 0.7091 NPC112903
Intermediate Similarity 0.7083 NPC100039
Intermediate Similarity 0.708 NPC470253
Intermediate Similarity 0.7059 NPC475059
Intermediate Similarity 0.7059 NPC475023
Intermediate Similarity 0.7054 NPC265513
Intermediate Similarity 0.7048 NPC240042
Intermediate Similarity 0.7027 NPC192577
Intermediate Similarity 0.7021 NPC298023
Intermediate Similarity 0.7018 NPC326664
Intermediate Similarity 0.7018 NPC196673
Intermediate Similarity 0.7 NPC98880
Remote Similarity 0.6991 NPC218855
Remote Similarity 0.6991 NPC280789
Remote Similarity 0.6991 NPC186128
Remote Similarity 0.6991 NPC292834
Remote Similarity 0.699 NPC475057
Remote Similarity 0.6972 NPC249067
Remote Similarity 0.6957 NPC476357
Remote Similarity 0.6957 NPC274839
Remote Similarity 0.6957 NPC1901
Remote Similarity 0.6952 NPC12695
Remote Similarity 0.6947 NPC137847
Remote Similarity 0.6947 NPC76455
Remote Similarity 0.6937 NPC470391
Remote Similarity 0.6937 NPC211439
Remote Similarity 0.6931 NPC477693
Remote Similarity 0.6931 NPC477704
Remote Similarity 0.6931 NPC473345
Remote Similarity 0.693 NPC471481
Remote Similarity 0.693 NPC143768
Remote Similarity 0.693 NPC93287
Remote Similarity 0.6923 NPC34243
Remote Similarity 0.6923 NPC261181
Remote Similarity 0.6909 NPC167336
Remote Similarity 0.6903 NPC137315
Remote Similarity 0.6903 NPC474057
Remote Similarity 0.6893 NPC110704
Remote Similarity 0.6889 NPC311343
Remote Similarity 0.6882 NPC208075
Remote Similarity 0.6875 NPC318327
Remote Similarity 0.687 NPC67377
Remote Similarity 0.687 NPC234637
Remote Similarity 0.687 NPC241851
Remote Similarity 0.687 NPC471721
Remote Similarity 0.687 NPC130591
Remote Similarity 0.6864 NPC318173
Remote Similarity 0.6863 NPC231591
Remote Similarity 0.6857 NPC172925
Remote Similarity 0.6852 NPC473325
Remote Similarity 0.6842 NPC66208
Remote Similarity 0.6842 NPC329318
Remote Similarity 0.6838 NPC158157
Remote Similarity 0.6822 NPC317280
Remote Similarity 0.6822 NPC229242
Remote Similarity 0.6822 NPC329387
Remote Similarity 0.6822 NPC145052
Remote Similarity 0.6818 NPC114594
Remote Similarity 0.681 NPC215419
Remote Similarity 0.681 NPC470764
Remote Similarity 0.6804 NPC157055
Remote Similarity 0.6789 NPC45613
Remote Similarity 0.678 NPC61651
Remote Similarity 0.6774 NPC48992
Remote Similarity 0.6774 NPC271437
Remote Similarity 0.6774 NPC470648
Remote Similarity 0.6768 NPC149263
Remote Similarity 0.6762 NPC246757
Remote Similarity 0.6762 NPC291070
Remote Similarity 0.6759 NPC476042
Remote Similarity 0.6757 NPC105899
Remote Similarity 0.6757 NPC209632
Remote Similarity 0.6754 NPC291799
Remote Similarity 0.6754 NPC210089
Remote Similarity 0.6752 NPC260886
Remote Similarity 0.6752 NPC62138
Remote Similarity 0.675 NPC232958
Remote Similarity 0.6731 NPC141607
Remote Similarity 0.6731 NPC125226
Remote Similarity 0.6731 NPC476484
Remote Similarity 0.6731 NPC187725
Remote Similarity 0.6729 NPC103048
Remote Similarity 0.6729 NPC133135
Remote Similarity 0.6729 NPC289201
Remote Similarity 0.6729 NPC251579
Remote Similarity 0.6726 NPC83628
Remote Similarity 0.6726 NPC265407
Remote Similarity 0.6724 NPC477411
Remote Similarity 0.672 NPC472678
Remote Similarity 0.6697 NPC282895
Remote Similarity 0.6697 NPC42211
Remote Similarity 0.6696 NPC37622
Remote Similarity 0.6696 NPC79496

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  240.06
ALogP  -0.1926
MLogP  2.78
XLogP  3.528
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  34.14
RO5 Violation  0