Drug Information

Drug ID:  NPD1509
Drug Name:  
Molecular Formula:  C15H10O5
Canonical SMILES:  Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O
Standard InCHI:  InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Standard InCHIKey:  RHMXXJGYXNZAPX-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1509

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 NPC254847
High Similarity 0.9923 NPC471905
High Similarity 0.9923 NPC53206
High Similarity 0.9923 NPC53414
High Similarity 0.9773 NPC242994
High Similarity 0.9773 NPC143438
High Similarity 0.9773 NPC138099
High Similarity 0.9767 NPC267205
High Similarity 0.9699 NPC181560
High Similarity 0.9699 NPC169452
High Similarity 0.9692 NPC44437
High Similarity 0.9627 NPC204045
High Similarity 0.9627 NPC305845
High Similarity 0.9627 NPC246638
High Similarity 0.9624 NPC190457
High Similarity 0.9556 NPC135524
High Similarity 0.9556 NPC193555
High Similarity 0.9545 NPC191976
High Similarity 0.9481 NPC290550
High Similarity 0.9416 NPC471906
High Similarity 0.9416 NPC48762
High Similarity 0.9416 NPC21599
High Similarity 0.9416 NPC244691
High Similarity 0.9416 NPC193703
High Similarity 0.9412 NPC73061
High Similarity 0.9394 NPC166480
High Similarity 0.9394 NPC282780
High Similarity 0.9348 NPC34482
High Similarity 0.9308 NPC99731
High Similarity 0.9281 NPC470570
High Similarity 0.927 NPC474961
High Similarity 0.9265 NPC203063
High Similarity 0.9231 NPC282923
High Similarity 0.9214 NPC312929
High Similarity 0.9214 NPC126767
High Similarity 0.9214 NPC289042
High Similarity 0.9214 NPC37709
High Similarity 0.9214 NPC245584
High Similarity 0.9214 NPC190648
High Similarity 0.9214 NPC56433
High Similarity 0.9214 NPC118027
High Similarity 0.9179 NPC161632
High Similarity 0.9147 NPC10926
High Similarity 0.9137 NPC19896
High Similarity 0.9118 NPC4214
High Similarity 0.9118 NPC13715
High Similarity 0.9118 NPC61398
High Similarity 0.9118 NPC416
High Similarity 0.9111 NPC118919
High Similarity 0.9077 NPC8745
High Similarity 0.9065 NPC238629
High Similarity 0.9065 NPC451542
High Similarity 0.9065 NPC313047
High Similarity 0.9065 NPC295712
High Similarity 0.9065 NPC474203
High Similarity 0.9065 NPC174905
High Similarity 0.9065 NPC293545
High Similarity 0.9058 NPC110810
High Similarity 0.9044 NPC53001
High Similarity 0.9037 NPC283088
High Similarity 0.903 NPC48036
High Similarity 0.903 NPC52407
High Similarity 0.9023 NPC93015
High Similarity 0.9023 NPC205992
High Similarity 0.9021 NPC255641
High Similarity 0.9021 NPC294646
High Similarity 0.9021 NPC147735
High Similarity 0.9021 NPC290954
High Similarity 0.9021 NPC470568
High Similarity 0.9015 NPC92624
High Similarity 0.9014 NPC471907
High Similarity 0.9 NPC227841
High Similarity 0.9 NPC103540
High Similarity 0.8978 NPC87723
High Similarity 0.8963 NPC474519
High Similarity 0.8963 NPC12070
High Similarity 0.8963 NPC50924
High Similarity 0.8958 NPC470569
High Similarity 0.8955 NPC70622
High Similarity 0.8955 NPC175738
High Similarity 0.8947 NPC259942
High Similarity 0.8947 NPC31799
High Similarity 0.8947 NPC62219
High Similarity 0.8939 NPC179898
High Similarity 0.8936 NPC12402
High Similarity 0.8931 NPC160499
High Similarity 0.8923 NPC173978
High Similarity 0.8923 NPC142956
High Similarity 0.8923 NPC13238
High Similarity 0.8921 NPC187843
High Similarity 0.8897 NPC40356
High Similarity 0.8897 NPC154683
High Similarity 0.8897 NPC290803
High Similarity 0.8897 NPC258502
High Similarity 0.8897 NPC80035
High Similarity 0.8897 NPC249272
High Similarity 0.8889 NPC280295
High Similarity 0.8889 NPC314048
High Similarity 0.8889 NPC180261
High Similarity 0.8889 NPC114183
High Similarity 0.8889 NPC225051
High Similarity 0.8889 NPC115458
High Similarity 0.8889 NPC37299
High Similarity 0.8873 NPC271944
High Similarity 0.8873 NPC110882
High Similarity 0.8873 NPC85393
High Similarity 0.8872 NPC109123
High Similarity 0.8872 NPC474998
High Similarity 0.8865 NPC10764
High Similarity 0.8864 NPC162612
High Similarity 0.8864 NPC72158
High Similarity 0.8864 NPC23126
High Similarity 0.8864 NPC266689
High Similarity 0.8864 NPC169250
High Similarity 0.8864 NPC190043
High Similarity 0.8864 NPC103356
High Similarity 0.8864 NPC30501
High Similarity 0.8864 NPC100067
High Similarity 0.8864 NPC105157
High Similarity 0.8864 NPC98254
High Similarity 0.8857 NPC182255
High Similarity 0.8857 NPC239136
High Similarity 0.8857 NPC19631
High Similarity 0.8857 NPC94076
High Similarity 0.8855 NPC477454
High Similarity 0.8849 NPC183345
High Similarity 0.8849 NPC156872
High Similarity 0.8846 NPC375356
High Similarity 0.8836 NPC107109
High Similarity 0.8836 NPC214632
High Similarity 0.8836 NPC208806
High Similarity 0.8832 NPC315275
High Similarity 0.8824 NPC288089
High Similarity 0.8824 NPC270899
High Similarity 0.8811 NPC34802
High Similarity 0.8811 NPC290194
High Similarity 0.8806 NPC199253
High Similarity 0.8806 NPC136588
High Similarity 0.8806 NPC147757
High Similarity 0.8797 NPC473017
High Similarity 0.8797 NPC48248
High Similarity 0.8797 NPC21305
High Similarity 0.8797 NPC221777
High Similarity 0.8794 NPC66593
High Similarity 0.8794 NPC167663
High Similarity 0.8794 NPC471682
High Similarity 0.8794 NPC84266
High Similarity 0.8794 NPC296752
High Similarity 0.8788 NPC267846
High Similarity 0.8788 NPC3224
High Similarity 0.8788 NPC473691
High Similarity 0.8788 NPC62952
High Similarity 0.8777 NPC26924
High Similarity 0.8777 NPC162939
High Similarity 0.8776 NPC226656
High Similarity 0.8776 NPC66508
High Similarity 0.8769 NPC300274
High Similarity 0.8769 NPC32032
High Similarity 0.8769 NPC133909
High Similarity 0.8769 NPC91478
High Similarity 0.8768 NPC471452
High Similarity 0.8768 NPC290030
High Similarity 0.8759 NPC278375
High Similarity 0.8759 NPC205766
High Similarity 0.875 NPC53896
High Similarity 0.875 NPC294226
High Similarity 0.8741 NPC72669
High Similarity 0.8741 NPC244699
High Similarity 0.8741 NPC474517
High Similarity 0.8731 NPC146647
High Similarity 0.8731 NPC34414
High Similarity 0.8723 NPC137649
High Similarity 0.8723 NPC257644
High Similarity 0.8722 NPC116513
High Similarity 0.8716 NPC5379
High Similarity 0.8716 NPC470564
High Similarity 0.8716 NPC77807
High Similarity 0.8716 NPC14561
High Similarity 0.8714 NPC315578
High Similarity 0.8712 NPC262671
High Similarity 0.8712 NPC201728
High Similarity 0.8699 NPC35
High Similarity 0.8696 NPC155211
High Similarity 0.8696 NPC272268
High Similarity 0.8696 NPC474813
High Similarity 0.8696 NPC194764
High Similarity 0.8696 NPC158481
High Similarity 0.8696 NPC65005
High Similarity 0.8696 NPC264112
High Similarity 0.8692 NPC73532
High Similarity 0.8692 NPC215392
High Similarity 0.8692 NPC120545
High Similarity 0.8692 NPC242895
High Similarity 0.8692 NPC224273
High Similarity 0.8692 NPC156139
High Similarity 0.8692 NPC45438
High Similarity 0.8692 NPC143427
High Similarity 0.8692 NPC267552
High Similarity 0.8692 NPC115159
High Similarity 0.8692 NPC19174

Drug Structure

External Identifiers

TTD   DNC014863
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3220
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  270.05
ALogP  -1.2665
MLogP  2.56
XLogP  0.664
HDA  2
HBD  3
Rotatable Bonds  4
TPSA  94.83
RO5 Violation  0