Drug Information

Drug ID:  NPD1512
Drug Name:  
Molecular Formula:  C15H10O7
Canonical SMILES:  Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
Standard InCHI:  InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
Standard InCHIKey:  REFJWTPEDVJJIY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1512

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 NPC20791
High Similarity 1.0 NPC179271
High Similarity 0.9929 NPC51443
High Similarity 0.9929 NPC74881
High Similarity 0.9857 NPC169749
High Similarity 0.9856 NPC279121
High Similarity 0.9789 NPC87125
High Similarity 0.9789 NPC270465
High Similarity 0.9789 NPC195351
High Similarity 0.9786 NPC70136
High Similarity 0.9784 NPC175013
High Similarity 0.972 NPC149127
High Similarity 0.972 NPC286342
High Similarity 0.972 NPC188871
High Similarity 0.972 NPC77858
High Similarity 0.9653 NPC252933
High Similarity 0.9653 NPC54394
High Similarity 0.9653 NPC200740
High Similarity 0.9653 NPC260895
High Similarity 0.9653 NPC125062
High Similarity 0.9653 NPC225731
High Similarity 0.9648 NPC108406
High Similarity 0.9648 NPC239312
High Similarity 0.9648 NPC130230
High Similarity 0.9648 NPC275772
High Similarity 0.9586 NPC63187
High Similarity 0.9586 NPC157784
High Similarity 0.9586 NPC82325
High Similarity 0.9586 NPC55205
High Similarity 0.9586 NPC279989
High Similarity 0.9586 NPC37684
High Similarity 0.9586 NPC27208
High Similarity 0.958 NPC12367
High Similarity 0.958 NPC119059
High Similarity 0.958 NPC118726
High Similarity 0.958 NPC19545
High Similarity 0.9521 NPC270620
High Similarity 0.9521 NPC78326
High Similarity 0.9521 NPC179126
High Similarity 0.9521 NPC236223
High Similarity 0.9517 NPC59162
High Similarity 0.9517 NPC304295
High Similarity 0.9517 NPC28274
High Similarity 0.9517 NPC205046
High Similarity 0.9517 NPC133953
High Similarity 0.9517 NPC50403
High Similarity 0.9514 NPC137062
High Similarity 0.9514 NPC159103
High Similarity 0.9514 NPC296197
High Similarity 0.9514 NPC259713
High Similarity 0.9514 NPC223579
High Similarity 0.9514 NPC17286
High Similarity 0.9514 NPC216318
High Similarity 0.9514 NPC287101
High Similarity 0.9514 NPC183950
High Similarity 0.9514 NPC52005
High Similarity 0.951 NPC86847
High Similarity 0.951 NPC140840
High Similarity 0.951 NPC168803
High Similarity 0.9456 NPC44079
High Similarity 0.9456 NPC26227
High Similarity 0.9456 NPC56786
High Similarity 0.9456 NPC201451
High Similarity 0.9456 NPC133392
High Similarity 0.9456 NPC80534
High Similarity 0.9456 NPC214138
High Similarity 0.9452 NPC61506
High Similarity 0.9452 NPC123886
High Similarity 0.9452 NPC240476
High Similarity 0.9452 NPC260491
High Similarity 0.9452 NPC9743
High Similarity 0.9452 NPC36835
High Similarity 0.9452 NPC246162
High Similarity 0.9448 NPC88804
High Similarity 0.9448 NPC184136
High Similarity 0.9448 NPC45873
High Similarity 0.9448 NPC3825
High Similarity 0.9448 NPC50728
High Similarity 0.9448 NPC166753
High Similarity 0.9444 NPC294852
High Similarity 0.9444 NPC321011
High Similarity 0.9444 NPC120464
High Similarity 0.9444 NPC276930
High Similarity 0.9444 NPC188679
High Similarity 0.9392 NPC3980
High Similarity 0.9392 NPC247017
High Similarity 0.9392 NPC245546
High Similarity 0.9392 NPC98661
High Similarity 0.9392 NPC153512
High Similarity 0.9392 NPC49824
High Similarity 0.9392 NPC265511
High Similarity 0.9392 NPC266960
High Similarity 0.9392 NPC43243
High Similarity 0.9388 NPC325028
High Similarity 0.9388 NPC256346
High Similarity 0.9388 NPC162351
High Similarity 0.9388 NPC27532
High Similarity 0.9388 NPC141212
High Similarity 0.9388 NPC58382
High Similarity 0.9388 NPC246328
High Similarity 0.9384 NPC236769
High Similarity 0.9379 NPC48479
High Similarity 0.9379 NPC177298
High Similarity 0.9379 NPC1612
High Similarity 0.9379 NPC183959
High Similarity 0.9375 NPC95864
High Similarity 0.9375 NPC12200
High Similarity 0.9353 NPC281917
High Similarity 0.9353 NPC187432
High Similarity 0.9353 NPC256042
High Similarity 0.9353 NPC116775
High Similarity 0.9353 NPC216361
High Similarity 0.9329 NPC176665
High Similarity 0.9329 NPC224137
High Similarity 0.9329 NPC287979
High Similarity 0.9329 NPC305663
High Similarity 0.9329 NPC227192
High Similarity 0.9329 NPC203891
High Similarity 0.9329 NPC189179
High Similarity 0.9329 NPC110070
High Similarity 0.9329 NPC75215
High Similarity 0.9329 NPC163524
High Similarity 0.9329 NPC101830
High Similarity 0.9329 NPC93376
High Similarity 0.9329 NPC174908
High Similarity 0.9329 NPC237418
High Similarity 0.9329 NPC273843
High Similarity 0.932 NPC275722
High Similarity 0.932 NPC39732
High Similarity 0.932 NPC239128
High Similarity 0.932 NPC198826
High Similarity 0.932 NPC19721
High Similarity 0.932 NPC120163
High Similarity 0.932 NPC71334
High Similarity 0.932 NPC187498
High Similarity 0.932 NPC100887
High Similarity 0.932 NPC212678
High Similarity 0.932 NPC222830
High Similarity 0.932 NPC57030
High Similarity 0.932 NPC25270
High Similarity 0.932 NPC301323
High Similarity 0.932 NPC188203
High Similarity 0.932 NPC156222
High Similarity 0.932 NPC83508
High Similarity 0.932 NPC293183
High Similarity 0.932 NPC256283
High Similarity 0.932 NPC241498
High Similarity 0.932 NPC275836
High Similarity 0.932 NPC60972
High Similarity 0.932 NPC131624
High Similarity 0.932 NPC301123
High Similarity 0.932 NPC162313
High Similarity 0.9315 NPC219330
High Similarity 0.9315 NPC62042
High Similarity 0.9315 NPC260582
High Similarity 0.9315 NPC61620
High Similarity 0.931 NPC194856
High Similarity 0.931 NPC195202
High Similarity 0.931 NPC196277
High Similarity 0.931 NPC272721
High Similarity 0.931 NPC43669
High Similarity 0.931 NPC261548
High Similarity 0.931 NPC3036
High Similarity 0.9301 NPC242893
High Similarity 0.9301 NPC38065
High Similarity 0.9286 NPC299379
High Similarity 0.9267 NPC22472
High Similarity 0.9267 NPC9609
High Similarity 0.9267 NPC130894
High Similarity 0.9267 NPC7846
High Similarity 0.9267 NPC300943
High Similarity 0.9267 NPC191459
High Similarity 0.9267 NPC288669
High Similarity 0.9267 NPC152166
High Similarity 0.9267 NPC204854
High Similarity 0.9267 NPC105242
High Similarity 0.9267 NPC115798
High Similarity 0.9267 NPC18772
High Similarity 0.9267 NPC25495
High Similarity 0.9267 NPC261004
High Similarity 0.9267 NPC19687
High Similarity 0.9267 NPC18607
High Similarity 0.9267 NPC143828
High Similarity 0.9267 NPC280680
High Similarity 0.9267 NPC4481
High Similarity 0.9267 NPC176300
High Similarity 0.9267 NPC253634
High Similarity 0.9262 NPC326037
High Similarity 0.9262 NPC100916
High Similarity 0.9262 NPC201837
High Similarity 0.9262 NPC475799
High Similarity 0.9262 NPC13779
High Similarity 0.9262 NPC13858
High Similarity 0.9262 NPC471500
High Similarity 0.9262 NPC474638
High Similarity 0.9262 NPC55619
High Similarity 0.9262 NPC292107
High Similarity 0.9262 NPC200388
High Similarity 0.9262 NPC320825
High Similarity 0.9262 NPC474520

Drug Structure

External Identifiers

TTD   DAP001419
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5280343
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  302.04
ALogP  -2.8012
MLogP  2.34
XLogP  1.381
HDA  2
HBD  5
Rotatable Bonds  6
TPSA  127.45
RO5 Violation  0