Drug Information

Drug ID:  NPD1471
Drug Name:  2-Acetyl Furanonapthoquinone
Molecular Formula:  C14H8O4
Canonical SMILES:  CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1
Standard InCHI:  InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
Standard InCHIKey:  DPHUWDIXHNQOSY-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1471

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 1.0 NPC265181
High Similarity 0.9357 NPC252208
High Similarity 0.9291 NPC280025
High Similarity 0.9225 NPC226578
High Similarity 0.9097 NPC471613
High Similarity 0.8889 NPC192069
High Similarity 0.8844 NPC88958
High Similarity 0.8803 NPC117674
High Similarity 0.8792 NPC317900
High Similarity 0.8792 NPC294300
High Similarity 0.8792 NPC217602
High Similarity 0.8792 NPC476404
High Similarity 0.8792 NPC473282
High Similarity 0.8792 NPC104380
High Similarity 0.8777 NPC177262
High Similarity 0.8741 NPC27798
High Similarity 0.8741 NPC93241
High Similarity 0.8621 NPC281398
High Similarity 0.8552 NPC233763
High Similarity 0.8514 NPC144010
High Similarity 0.8511 NPC284184
Intermediate Similarity 0.8483 NPC245522
Intermediate Similarity 0.8483 NPC114513
Intermediate Similarity 0.8467 NPC179170
Intermediate Similarity 0.8456 NPC145830
Intermediate Similarity 0.844 NPC232996
Intermediate Similarity 0.8425 NPC474261
Intermediate Similarity 0.838 NPC301341
Intermediate Similarity 0.8369 NPC217914
Intermediate Similarity 0.8367 NPC250331
Intermediate Similarity 0.8301 NPC299094
Intermediate Similarity 0.8301 NPC10051
Intermediate Similarity 0.8299 NPC478166
Intermediate Similarity 0.8248 NPC237868
Intermediate Similarity 0.8248 NPC177925
Intermediate Similarity 0.8243 NPC471346
Intermediate Similarity 0.8243 NPC224418
Intermediate Similarity 0.8235 NPC221992
Intermediate Similarity 0.8228 NPC473945
Intermediate Similarity 0.8224 NPC23559
Intermediate Similarity 0.8214 NPC205360
Intermediate Similarity 0.8194 NPC472782
Intermediate Similarity 0.8194 NPC472781
Intermediate Similarity 0.8194 NPC233707
Intermediate Similarity 0.8163 NPC53016
Intermediate Similarity 0.8162 NPC182646
Intermediate Similarity 0.8141 NPC472780
Intermediate Similarity 0.8141 NPC472783
Intermediate Similarity 0.8138 NPC18904
Intermediate Similarity 0.8138 NPC223336
Intermediate Similarity 0.8116 NPC184391
Intermediate Similarity 0.8113 NPC44602
Intermediate Similarity 0.8105 NPC41719
Intermediate Similarity 0.8085 NPC477412
Intermediate Similarity 0.8085 NPC279596
Intermediate Similarity 0.8071 NPC57552
Intermediate Similarity 0.8058 NPC45537
Intermediate Similarity 0.8042 NPC1249
Intermediate Similarity 0.8039 NPC282793
Intermediate Similarity 0.8039 NPC24232
Intermediate Similarity 0.8014 NPC477408
Intermediate Similarity 0.8 NPC29638
Intermediate Similarity 0.8 NPC59502
Intermediate Similarity 0.8 NPC477534
Intermediate Similarity 0.8 NPC81405
Intermediate Similarity 0.8 NPC190572
Intermediate Similarity 0.8 NPC50583
Intermediate Similarity 0.8 NPC246214
Intermediate Similarity 0.7987 NPC472784
Intermediate Similarity 0.7987 NPC290927
Intermediate Similarity 0.7987 NPC229787
Intermediate Similarity 0.7987 NPC25351
Intermediate Similarity 0.7987 NPC42458
Intermediate Similarity 0.7987 NPC235333
Intermediate Similarity 0.7987 NPC469966
Intermediate Similarity 0.7987 NPC158261
Intermediate Similarity 0.7974 NPC23668
Intermediate Similarity 0.7974 NPC115324
Intermediate Similarity 0.7974 NPC193976
Intermediate Similarity 0.7972 NPC477536
Intermediate Similarity 0.7971 NPC56332
Intermediate Similarity 0.7958 NPC324488
Intermediate Similarity 0.7949 NPC212967
Intermediate Similarity 0.7949 NPC140952
Intermediate Similarity 0.7949 NPC96342
Intermediate Similarity 0.7949 NPC246647
Intermediate Similarity 0.7949 NPC201127
Intermediate Similarity 0.7949 NPC164110
Intermediate Similarity 0.7947 NPC198427
Intermediate Similarity 0.7937 NPC472895
Intermediate Similarity 0.7935 NPC297531
Intermediate Similarity 0.7935 NPC213936
Intermediate Similarity 0.7935 NPC148938
Intermediate Similarity 0.7933 NPC262198
Intermediate Similarity 0.7931 NPC141934
Intermediate Similarity 0.7931 NPC42400
Intermediate Similarity 0.7926 NPC35744
Intermediate Similarity 0.7922 NPC130015
Intermediate Similarity 0.7922 NPC142308
Intermediate Similarity 0.7922 NPC38361
Intermediate Similarity 0.7922 NPC207624
Intermediate Similarity 0.7917 NPC209858
Intermediate Similarity 0.7917 NPC324117
Intermediate Similarity 0.7911 NPC24761
Intermediate Similarity 0.7908 NPC148423
Intermediate Similarity 0.7908 NPC472406
Intermediate Similarity 0.7908 NPC135303
Intermediate Similarity 0.7905 NPC473152
Intermediate Similarity 0.7899 NPC11799
Intermediate Similarity 0.7899 NPC141252
Intermediate Similarity 0.7891 NPC61157
Intermediate Similarity 0.7891 NPC218204
Intermediate Similarity 0.7891 NPC473681
Intermediate Similarity 0.7888 NPC95715
Intermediate Similarity 0.7885 NPC180924
Intermediate Similarity 0.7877 NPC186647
Intermediate Similarity 0.7871 NPC214632
Intermediate Similarity 0.7871 NPC472786
Intermediate Similarity 0.7871 NPC75310
Intermediate Similarity 0.7867 NPC469385
Intermediate Similarity 0.7862 NPC193998
Intermediate Similarity 0.7857 NPC474737
Intermediate Similarity 0.7857 NPC156244
Intermediate Similarity 0.7857 NPC58668
Intermediate Similarity 0.7857 NPC106372
Intermediate Similarity 0.7852 NPC69755
Intermediate Similarity 0.7852 NPC32298
Intermediate Similarity 0.7847 NPC171968
Intermediate Similarity 0.7843 NPC472298
Intermediate Similarity 0.784 NPC202470
Intermediate Similarity 0.7838 NPC477537
Intermediate Similarity 0.7834 NPC268360
Intermediate Similarity 0.7832 NPC301717
Intermediate Similarity 0.7829 NPC478018
Intermediate Similarity 0.7829 NPC471285
Intermediate Similarity 0.7823 NPC62735
Intermediate Similarity 0.7823 NPC254841
Intermediate Similarity 0.7821 NPC99199
Intermediate Similarity 0.7821 NPC233776
Intermediate Similarity 0.7815 NPC478019
Intermediate Similarity 0.7815 NPC62799
Intermediate Similarity 0.7815 NPC98926
Intermediate Similarity 0.7815 NPC155144
Intermediate Similarity 0.7815 NPC160777
Intermediate Similarity 0.7815 NPC49282
Intermediate Similarity 0.7815 NPC230943
Intermediate Similarity 0.7815 NPC73416
Intermediate Similarity 0.7812 NPC109180
Intermediate Similarity 0.7808 NPC163029
Intermediate Similarity 0.7808 NPC307401
Intermediate Similarity 0.7806 NPC67654
Intermediate Similarity 0.7806 NPC10429
Intermediate Similarity 0.7806 NPC263676
Intermediate Similarity 0.7805 NPC167340
Intermediate Similarity 0.7801 NPC298884
Intermediate Similarity 0.78 NPC167663
Intermediate Similarity 0.78 NPC472840
Intermediate Similarity 0.78 NPC53192
Intermediate Similarity 0.78 NPC313036
Intermediate Similarity 0.7799 NPC264293
Intermediate Similarity 0.7799 NPC269117
Intermediate Similarity 0.7794 NPC54243
Intermediate Similarity 0.7792 NPC474660
Intermediate Similarity 0.7792 NPC230713
Intermediate Similarity 0.7792 NPC473466
Intermediate Similarity 0.7792 NPC167576
Intermediate Similarity 0.7792 NPC78335
Intermediate Similarity 0.7791 NPC28042
Intermediate Similarity 0.7786 NPC224657
Intermediate Similarity 0.7786 NPC52035
Intermediate Similarity 0.7786 NPC470858
Intermediate Similarity 0.7785 NPC52412
Intermediate Similarity 0.7785 NPC28337
Intermediate Similarity 0.7785 NPC263337
Intermediate Similarity 0.7785 NPC287559
Intermediate Similarity 0.7785 NPC228501
Intermediate Similarity 0.7778 NPC186392
Intermediate Similarity 0.7778 NPC135325
Intermediate Similarity 0.7778 NPC219560
Intermediate Similarity 0.7778 NPC306788
Intermediate Similarity 0.7778 NPC183103
Intermediate Similarity 0.7778 NPC472839
Intermediate Similarity 0.7771 NPC247677
Intermediate Similarity 0.7771 NPC160015
Intermediate Similarity 0.777 NPC178382
Intermediate Similarity 0.777 NPC93730
Intermediate Similarity 0.777 NPC1268
Intermediate Similarity 0.777 NPC470407
Intermediate Similarity 0.7764 NPC473766
Intermediate Similarity 0.7764 NPC473753
Intermediate Similarity 0.7764 NPC279768
Intermediate Similarity 0.7763 NPC210826
Intermediate Similarity 0.7755 NPC471542
Intermediate Similarity 0.7754 NPC314329
Intermediate Similarity 0.775 NPC56358
Intermediate Similarity 0.775 NPC472664
Intermediate Similarity 0.775 NPC477239
Intermediate Similarity 0.775 NPC3448
Intermediate Similarity 0.7748 NPC17262
Intermediate Similarity 0.7748 NPC302181

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  240.04
ALogP  -0.9356
MLogP  2.56
XLogP  2.152
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  64.35
RO5 Violation  0