Drug Information

Drug ID:  NPD943
Drug Name:  Exifone
Molecular Formula:  C13H10O7
Canonical SMILES:  O=C(c1ccc(c(c1O)O)O)c1cc(O)c(c(c1)O)O
Standard InCHI:  InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
Standard InCHIKey:  XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD943

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 NPC135801
High Similarity 0.992 NPC469526
High Similarity 0.992 NPC34070
High Similarity 0.984 NPC26697
High Similarity 0.984 NPC233056
High Similarity 0.96 NPC107672
High Similarity 0.9538 NPC264112
High Similarity 0.9538 NPC65005
High Similarity 0.9538 NPC194764
High Similarity 0.9528 NPC244441
High Similarity 0.952 NPC8745
High Similarity 0.9466 NPC290030
High Similarity 0.944 NPC10926
High Similarity 0.9398 NPC203063
High Similarity 0.9394 NPC175552
High Similarity 0.936 NPC13238
High Similarity 0.9323 NPC472903
High Similarity 0.92 NPC133909
High Similarity 0.92 NPC32032
High Similarity 0.9191 NPC287722
High Similarity 0.9191 NPC238629
High Similarity 0.9185 NPC472904
High Similarity 0.9173 NPC170742
High Similarity 0.912 NPC143427
High Similarity 0.912 NPC115159
High Similarity 0.912 NPC45438
High Similarity 0.912 NPC73532
High Similarity 0.912 NPC242895
High Similarity 0.912 NPC156139
High Similarity 0.912 NPC224273
High Similarity 0.912 NPC19174
High Similarity 0.912 NPC267552
High Similarity 0.9098 NPC223836
High Similarity 0.904 NPC248363
High Similarity 0.904 NPC297186
High Similarity 0.9023 NPC72918
High Similarity 0.8992 NPC214620
High Similarity 0.8986 NPC38065
High Similarity 0.8986 NPC242893
High Similarity 0.8986 NPC142165
High Similarity 0.8978 NPC284556
High Similarity 0.8978 NPC301178
High Similarity 0.896 NPC159525
High Similarity 0.8947 NPC282780
High Similarity 0.8947 NPC44437
High Similarity 0.8947 NPC166480
High Similarity 0.8929 NPC125449
High Similarity 0.8929 NPC188074
High Similarity 0.8913 NPC471417
High Similarity 0.8913 NPC254659
High Similarity 0.888 NPC158222
High Similarity 0.8872 NPC294226
High Similarity 0.8865 NPC183655
High Similarity 0.8865 NPC43669
High Similarity 0.8865 NPC287395
High Similarity 0.8865 NPC272721
High Similarity 0.8865 NPC196277
High Similarity 0.8865 NPC218490
High Similarity 0.8855 NPC92624
High Similarity 0.8855 NPC474998
High Similarity 0.8855 NPC109123
High Similarity 0.8846 NPC23126
High Similarity 0.8846 NPC162612
High Similarity 0.8846 NPC72158
High Similarity 0.8846 NPC169250
High Similarity 0.8846 NPC266689
High Similarity 0.8846 NPC156539
High Similarity 0.8846 NPC100067
High Similarity 0.8846 NPC190043
High Similarity 0.8846 NPC103356
High Similarity 0.8846 NPC30501
High Similarity 0.8846 NPC105157
High Similarity 0.8846 NPC98254
High Similarity 0.8824 NPC416
High Similarity 0.8824 NPC61398
High Similarity 0.8819 NPC196976
High Similarity 0.8803 NPC40290
High Similarity 0.8803 NPC264289
High Similarity 0.8803 NPC69430
High Similarity 0.8803 NPC200060
High Similarity 0.8803 NPC195763
High Similarity 0.8803 NPC264550
High Similarity 0.8803 NPC333691
High Similarity 0.8803 NPC142876
High Similarity 0.8803 NPC139293
High Similarity 0.8794 NPC77378
High Similarity 0.8794 NPC168803
High Similarity 0.8788 NPC259942
High Similarity 0.8786 NPC70136
High Similarity 0.8779 NPC473017
High Similarity 0.8779 NPC221777
High Similarity 0.8779 NPC21305
High Similarity 0.8769 NPC267846
High Similarity 0.8769 NPC62952
High Similarity 0.875 NPC53206
High Similarity 0.875 NPC53414
High Similarity 0.875 NPC147418
High Similarity 0.8741 NPC29231
High Similarity 0.8741 NPC10467
High Similarity 0.8741 NPC129752
High Similarity 0.8741 NPC472279
High Similarity 0.874 NPC146642
High Similarity 0.8732 NPC118726
High Similarity 0.8732 NPC194653
High Similarity 0.8732 NPC12367
High Similarity 0.8732 NPC471907
High Similarity 0.8732 NPC139364
High Similarity 0.8732 NPC80710
High Similarity 0.8732 NPC254702
High Similarity 0.8732 NPC194856
High Similarity 0.8732 NPC203747
High Similarity 0.8732 NPC276930
High Similarity 0.873 NPC161617
High Similarity 0.8714 NPC105213
High Similarity 0.8714 NPC279121
High Similarity 0.8714 NPC207732
High Similarity 0.8712 NPC102829
High Similarity 0.8712 NPC120488
High Similarity 0.8705 NPC312256
High Similarity 0.8705 NPC291078
High Similarity 0.8702 NPC116513
High Similarity 0.8696 NPC50823
High Similarity 0.8686 NPC123714
High Similarity 0.8681 NPC251110
High Similarity 0.8681 NPC227485
High Similarity 0.8676 NPC254847
High Similarity 0.8671 NPC171916
High Similarity 0.8671 NPC183959
High Similarity 0.8671 NPC102003
High Similarity 0.8671 NPC92722
High Similarity 0.8671 NPC1612
High Similarity 0.8671 NPC105512
High Similarity 0.8671 NPC38545
High Similarity 0.8662 NPC275772
High Similarity 0.8662 NPC95864
High Similarity 0.8662 NPC51443
High Similarity 0.8662 NPC130230
High Similarity 0.8662 NPC207729
High Similarity 0.8662 NPC74881
High Similarity 0.8662 NPC86847
High Similarity 0.8662 NPC140840
High Similarity 0.8662 NPC239312
High Similarity 0.8661 NPC294037
High Similarity 0.8651 NPC40649
High Similarity 0.8651 NPC209486
High Similarity 0.8647 NPC117609
High Similarity 0.8647 NPC147757
High Similarity 0.8643 NPC119663
High Similarity 0.8643 NPC175013
High Similarity 0.8636 NPC179898
High Similarity 0.8633 NPC110419
High Similarity 0.8623 NPC138099
High Similarity 0.8623 NPC242994
High Similarity 0.8621 NPC209487
High Similarity 0.8621 NPC216769
High Similarity 0.8621 NPC131266
High Similarity 0.8621 NPC100263
High Similarity 0.8621 NPC181209
High Similarity 0.8621 NPC245382
High Similarity 0.8621 NPC35763
High Similarity 0.8621 NPC149889
High Similarity 0.8621 NPC100971
High Similarity 0.8621 NPC312338
High Similarity 0.8621 NPC121522
High Similarity 0.8621 NPC269451
High Similarity 0.8621 NPC291802
High Similarity 0.8613 NPC471905
High Similarity 0.8611 NPC61620
High Similarity 0.8611 NPC260582
High Similarity 0.8611 NPC62042
High Similarity 0.8611 NPC85131
High Similarity 0.8611 NPC248102
High Similarity 0.8611 NPC45873
High Similarity 0.8605 NPC225710
High Similarity 0.8605 NPC309765
High Similarity 0.8603 NPC258502
High Similarity 0.8601 NPC188679
High Similarity 0.8601 NPC166036
High Similarity 0.8601 NPC321011
High Similarity 0.8601 NPC15329
High Similarity 0.8601 NPC238279
High Similarity 0.8601 NPC203077
High Similarity 0.8601 NPC19545
High Similarity 0.8601 NPC131451
High Similarity 0.8601 NPC294852
High Similarity 0.8601 NPC3036
High Similarity 0.8594 NPC149246
High Similarity 0.8593 NPC213485
High Similarity 0.8593 NPC267205
High Similarity 0.8593 NPC40524
High Similarity 0.8593 NPC139074
High Similarity 0.8592 NPC12377
High Similarity 0.8592 NPC179271
High Similarity 0.8592 NPC20791
High Similarity 0.8583 NPC195262
High Similarity 0.8583 NPC188814
High Similarity 0.8582 NPC475042
High Similarity 0.8582 NPC257025
High Similarity 0.8582 NPC59551
High Similarity 0.8571 NPC476119

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  278.04
ALogP  -3.0256
MLogP  2.12
XLogP  0.778
HDA  1
HBD  6
Rotatable Bonds  8
TPSA  138.45
RO5 Violation  1