Drug Information

Drug ID:  NPD1511
Drug Name:  
Molecular Formula:  C15H10O6
Canonical SMILES:  Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O
Standard InCHI:  InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
Standard InCHIKey:  IQPNAANSBPBGFQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1511

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 NPC279121
High Similarity 0.9928 NPC70136
High Similarity 0.9927 NPC175013
High Similarity 0.9856 NPC20791
High Similarity 0.9856 NPC179271
High Similarity 0.9786 NPC108406
High Similarity 0.9786 NPC51443
High Similarity 0.9786 NPC130230
High Similarity 0.9786 NPC239312
High Similarity 0.9786 NPC74881
High Similarity 0.9786 NPC275772
High Similarity 0.9716 NPC119059
High Similarity 0.9716 NPC12367
High Similarity 0.9716 NPC118726
High Similarity 0.9714 NPC169749
High Similarity 0.9648 NPC287101
High Similarity 0.9648 NPC296197
High Similarity 0.9648 NPC183950
High Similarity 0.9648 NPC216318
High Similarity 0.9648 NPC137062
High Similarity 0.9648 NPC270465
High Similarity 0.9648 NPC52005
High Similarity 0.9648 NPC195351
High Similarity 0.9648 NPC17286
High Similarity 0.9648 NPC259713
High Similarity 0.9648 NPC223579
High Similarity 0.9648 NPC87125
High Similarity 0.9645 NPC168803
High Similarity 0.958 NPC149127
High Similarity 0.958 NPC286342
High Similarity 0.958 NPC45873
High Similarity 0.958 NPC184136
High Similarity 0.958 NPC188871
High Similarity 0.958 NPC77858
High Similarity 0.958 NPC88804
High Similarity 0.958 NPC3825
High Similarity 0.9577 NPC188679
High Similarity 0.9577 NPC276930
High Similarity 0.9577 NPC321011
High Similarity 0.9577 NPC294852
High Similarity 0.9577 NPC120464
High Similarity 0.9514 NPC225731
High Similarity 0.9514 NPC200740
High Similarity 0.9514 NPC260895
High Similarity 0.9514 NPC125062
High Similarity 0.9514 NPC54394
High Similarity 0.9514 NPC252933
High Similarity 0.951 NPC183959
High Similarity 0.951 NPC1612
High Similarity 0.951 NPC177298
High Similarity 0.951 NPC48479
High Similarity 0.9507 NPC95864
High Similarity 0.9507 NPC12200
High Similarity 0.9448 NPC83508
High Similarity 0.9448 NPC157784
High Similarity 0.9448 NPC82325
High Similarity 0.9448 NPC57030
High Similarity 0.9448 NPC37684
High Similarity 0.9448 NPC241498
High Similarity 0.9448 NPC27208
High Similarity 0.9448 NPC188203
High Similarity 0.9448 NPC100887
High Similarity 0.9448 NPC39732
High Similarity 0.9448 NPC275722
High Similarity 0.9448 NPC60972
High Similarity 0.9448 NPC120163
High Similarity 0.9448 NPC198826
High Similarity 0.9448 NPC63187
High Similarity 0.9448 NPC275836
High Similarity 0.9448 NPC212678
High Similarity 0.9448 NPC293183
High Similarity 0.9448 NPC279989
High Similarity 0.9448 NPC162313
High Similarity 0.9448 NPC131624
High Similarity 0.9448 NPC301323
High Similarity 0.9448 NPC156222
High Similarity 0.9448 NPC25270
High Similarity 0.9448 NPC55205
High Similarity 0.9448 NPC222830
High Similarity 0.9448 NPC239128
High Similarity 0.9448 NPC256283
High Similarity 0.9448 NPC71334
High Similarity 0.9448 NPC187498
High Similarity 0.9444 NPC62042
High Similarity 0.9444 NPC61620
High Similarity 0.9441 NPC43669
High Similarity 0.9441 NPC272721
High Similarity 0.9441 NPC195202
High Similarity 0.9441 NPC194856
High Similarity 0.9441 NPC3036
High Similarity 0.9441 NPC196277
High Similarity 0.9441 NPC19545
High Similarity 0.9433 NPC38065
High Similarity 0.9433 NPC242893
High Similarity 0.9384 NPC236223
High Similarity 0.9384 NPC47781
High Similarity 0.9384 NPC274327
High Similarity 0.9384 NPC255350
High Similarity 0.9384 NPC69394
High Similarity 0.9384 NPC176775
High Similarity 0.9384 NPC170492
High Similarity 0.9384 NPC145379
High Similarity 0.9384 NPC22519
High Similarity 0.9384 NPC160951
High Similarity 0.9384 NPC183878
High Similarity 0.9384 NPC270620
High Similarity 0.9384 NPC179126
High Similarity 0.9384 NPC231018
High Similarity 0.9384 NPC78326
High Similarity 0.9379 NPC50403
High Similarity 0.9379 NPC251110
High Similarity 0.9379 NPC133953
High Similarity 0.9379 NPC59162
High Similarity 0.9379 NPC205046
High Similarity 0.9379 NPC304295
High Similarity 0.9379 NPC28274
High Similarity 0.9379 NPC154345
High Similarity 0.9379 NPC204515
High Similarity 0.9375 NPC105512
High Similarity 0.9375 NPC159103
High Similarity 0.9371 NPC140840
High Similarity 0.9371 NPC86847
High Similarity 0.9371 NPC207729
High Similarity 0.9371 NPC62536
High Similarity 0.9371 NPC33265
High Similarity 0.9371 NPC77378
High Similarity 0.932 NPC56786
High Similarity 0.932 NPC92659
High Similarity 0.932 NPC80534
High Similarity 0.932 NPC128863
High Similarity 0.932 NPC44079
High Similarity 0.932 NPC2476
High Similarity 0.932 NPC196439
High Similarity 0.932 NPC213622
High Similarity 0.932 NPC138360
High Similarity 0.932 NPC201136
High Similarity 0.932 NPC214138
High Similarity 0.932 NPC50715
High Similarity 0.932 NPC163780
High Similarity 0.932 NPC183597
High Similarity 0.932 NPC201451
High Similarity 0.932 NPC256612
High Similarity 0.932 NPC26227
High Similarity 0.932 NPC167815
High Similarity 0.932 NPC146165
High Similarity 0.932 NPC227325
High Similarity 0.932 NPC20830
High Similarity 0.932 NPC4455
High Similarity 0.932 NPC280339
High Similarity 0.932 NPC133392
High Similarity 0.9315 NPC123886
High Similarity 0.9315 NPC249570
High Similarity 0.9315 NPC142540
High Similarity 0.9315 NPC199100
High Similarity 0.9315 NPC61506
High Similarity 0.9315 NPC240476
High Similarity 0.9315 NPC471982
High Similarity 0.9315 NPC180234
High Similarity 0.9315 NPC246162
High Similarity 0.9315 NPC9743
High Similarity 0.9315 NPC36835
High Similarity 0.9315 NPC302950
High Similarity 0.9315 NPC219582
High Similarity 0.9315 NPC260491
High Similarity 0.9315 NPC236637
High Similarity 0.9315 NPC120537
High Similarity 0.931 NPC29231
High Similarity 0.931 NPC306821
High Similarity 0.931 NPC166753
High Similarity 0.931 NPC50728
High Similarity 0.931 NPC248102
High Similarity 0.9306 NPC218490
High Similarity 0.9291 NPC301178
High Similarity 0.9291 NPC284556
High Similarity 0.927 NPC78540
High Similarity 0.927 NPC274121
High Similarity 0.927 NPC213216
High Similarity 0.927 NPC50898
High Similarity 0.9257 NPC43243
High Similarity 0.9257 NPC471985
High Similarity 0.9257 NPC245546
High Similarity 0.9257 NPC276444
High Similarity 0.9257 NPC247017
High Similarity 0.9257 NPC266960
High Similarity 0.9257 NPC49824
High Similarity 0.9257 NPC3980
High Similarity 0.9257 NPC153512
High Similarity 0.9257 NPC265511
High Similarity 0.9257 NPC98661
High Similarity 0.9252 NPC18727
High Similarity 0.9252 NPC167091
High Similarity 0.9252 NPC213896
High Similarity 0.9252 NPC141212
High Similarity 0.9252 NPC276409
High Similarity 0.9252 NPC325028
High Similarity 0.9252 NPC192083
High Similarity 0.9252 NPC246328
High Similarity 0.9252 NPC162351
High Similarity 0.9252 NPC292214
High Similarity 0.9252 NPC250822

Drug Structure

External Identifiers

TTD   DAP001461
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5280445
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  286.05
ALogP  -2.3448
MLogP  2.45
XLogP  1.033
HDA  1
HBD  4
Rotatable Bonds  5
TPSA  107.22
RO5 Violation  0