Drug Information

Drug ID:  NPD651
Drug Name:  
Molecular Formula:  C11H8O5
Canonical SMILES:  Oc1cc2cccc(c(=O)c2c(c1O)O)O
Standard InCHI:  InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
Standard InCHIKey:  WDGFFVCWBZVLCE-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD651

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 0.9179 NPC129752
High Similarity 0.9167 NPC469526
High Similarity 0.9167 NPC34070
High Similarity 0.9098 NPC135801
High Similarity 0.9091 NPC26697
High Similarity 0.9044 NPC290030
High Similarity 0.8986 NPC203063
High Similarity 0.8978 NPC175552
High Similarity 0.8947 NPC233056
High Similarity 0.8939 NPC179898
High Similarity 0.8929 NPC238629
High Similarity 0.8913 NPC472903
High Similarity 0.8864 NPC214620
High Similarity 0.8857 NPC291078
High Similarity 0.8841 NPC123714
High Similarity 0.8815 NPC478190
High Similarity 0.8815 NPC17843
High Similarity 0.8786 NPC472904
High Similarity 0.8777 NPC471819
High Similarity 0.8768 NPC170742
High Similarity 0.8722 NPC107672
High Similarity 0.8696 NPC223836
High Similarity 0.8696 NPC194764
High Similarity 0.8696 NPC65005
High Similarity 0.8696 NPC264112
High Similarity 0.8667 NPC117609
High Similarity 0.8667 NPC244441
High Similarity 0.8667 NPC147757
High Similarity 0.8647 NPC8745
High Similarity 0.8636 NPC13238
High Similarity 0.8623 NPC72918
High Similarity 0.8623 NPC14377
High Similarity 0.8582 NPC473787
High Similarity 0.8571 NPC262671
High Similarity 0.8571 NPC10926
High Similarity 0.8571 NPC477454
High Similarity 0.8571 NPC201728
High Similarity 0.8551 NPC166480
High Similarity 0.8551 NPC44437
High Similarity 0.8551 NPC282780
High Similarity 0.8519 NPC767
High Similarity 0.8519 NPC247250
High Similarity 0.8519 NPC41263
High Similarity 0.8507 NPC473691
High Similarity 0.85 NPC147418
Intermediate Similarity 0.8493 NPC471907
Intermediate Similarity 0.8485 NPC225710
Intermediate Similarity 0.8478 NPC294226
Intermediate Similarity 0.8472 NPC257025
Intermediate Similarity 0.8462 NPC161617
Intermediate Similarity 0.8456 NPC92624
Intermediate Similarity 0.8451 NPC50823
Intermediate Similarity 0.8444 NPC324209
Intermediate Similarity 0.8444 NPC156539
Intermediate Similarity 0.844 NPC416
Intermediate Similarity 0.844 NPC61398
Intermediate Similarity 0.8425 NPC74881
Intermediate Similarity 0.8425 NPC51443
Intermediate Similarity 0.8409 NPC45438
Intermediate Similarity 0.8409 NPC224273
Intermediate Similarity 0.8409 NPC115159
Intermediate Similarity 0.8409 NPC19174
Intermediate Similarity 0.8409 NPC143427
Intermediate Similarity 0.8409 NPC73532
Intermediate Similarity 0.8409 NPC267552
Intermediate Similarity 0.8403 NPC287722
Intermediate Similarity 0.8394 NPC17840
Intermediate Similarity 0.8394 NPC247477
Intermediate Similarity 0.8394 NPC259942
Intermediate Similarity 0.8385 NPC40649
Intermediate Similarity 0.8385 NPC209486
Intermediate Similarity 0.838 NPC52358
Intermediate Similarity 0.8378 NPC103509
Intermediate Similarity 0.8369 NPC53206
Intermediate Similarity 0.8369 NPC53414
Intermediate Similarity 0.8367 NPC19545
Intermediate Similarity 0.8356 NPC179271
Intermediate Similarity 0.8356 NPC20791
Intermediate Similarity 0.8346 NPC32032
Intermediate Similarity 0.8346 NPC133909
Intermediate Similarity 0.8345 NPC142165
Intermediate Similarity 0.8333 NPC146642
Intermediate Similarity 0.8333 NPC198249
Intermediate Similarity 0.8333 NPC284556
Intermediate Similarity 0.8333 NPC297186
Intermediate Similarity 0.8333 NPC301178
Intermediate Similarity 0.8333 NPC137649
Intermediate Similarity 0.8321 NPC102829
Intermediate Similarity 0.8321 NPC120488
Intermediate Similarity 0.8311 NPC195351
Intermediate Similarity 0.8308 NPC150919
Intermediate Similarity 0.8299 NPC86847
Intermediate Similarity 0.8299 NPC140840
Intermediate Similarity 0.8299 NPC476463
Intermediate Similarity 0.8298 NPC254847
Intermediate Similarity 0.8288 NPC70136
Intermediate Similarity 0.8278 NPC56786
Intermediate Similarity 0.8278 NPC80534
Intermediate Similarity 0.8276 NPC471417
Intermediate Similarity 0.8276 NPC254659
Intermediate Similarity 0.8271 NPC156139
Intermediate Similarity 0.8271 NPC242895
Intermediate Similarity 0.8267 NPC28103
Intermediate Similarity 0.8267 NPC149889
Intermediate Similarity 0.8267 NPC312338
Intermediate Similarity 0.8258 NPC260837
Intermediate Similarity 0.8258 NPC294037
Intermediate Similarity 0.8255 NPC77858
Intermediate Similarity 0.8255 NPC56204
Intermediate Similarity 0.8255 NPC85131
Intermediate Similarity 0.8255 NPC48949
Intermediate Similarity 0.8255 NPC260582
Intermediate Similarity 0.8252 NPC190457
Intermediate Similarity 0.8252 NPC138099
Intermediate Similarity 0.8252 NPC242994
Intermediate Similarity 0.8252 NPC143438
Intermediate Similarity 0.8243 NPC218490
Intermediate Similarity 0.8243 NPC287395
Intermediate Similarity 0.8243 NPC118726
Intermediate Similarity 0.8243 NPC183655
Intermediate Similarity 0.8243 NPC12367
Intermediate Similarity 0.8239 NPC471905
Intermediate Similarity 0.8235 NPC231774
Intermediate Similarity 0.8231 NPC143903
Intermediate Similarity 0.8231 NPC169749
Intermediate Similarity 0.8231 NPC226987
Intermediate Similarity 0.8227 NPC258502
Intermediate Similarity 0.8224 NPC153512
Intermediate Similarity 0.8222 NPC310540
Intermediate Similarity 0.8219 NPC242893
Intermediate Similarity 0.8219 NPC279121
Intermediate Similarity 0.8219 NPC471906
Intermediate Similarity 0.8219 NPC38065
Intermediate Similarity 0.8219 NPC244691
Intermediate Similarity 0.8214 NPC48036
Intermediate Similarity 0.8214 NPC267205
Intermediate Similarity 0.8212 NPC281703
Intermediate Similarity 0.8212 NPC127172
Intermediate Similarity 0.8212 NPC125487
Intermediate Similarity 0.8209 NPC309765
Intermediate Similarity 0.8207 NPC299154
Intermediate Similarity 0.8201 NPC219892
Intermediate Similarity 0.8201 NPC264145
Intermediate Similarity 0.8201 NPC189823
Intermediate Similarity 0.82 NPC225731
Intermediate Similarity 0.82 NPC260895
Intermediate Similarity 0.82 NPC35
Intermediate Similarity 0.82 NPC202157
Intermediate Similarity 0.8195 NPC248363
Intermediate Similarity 0.8195 NPC149246
Intermediate Similarity 0.8194 NPC169452
Intermediate Similarity 0.8194 NPC181560
Intermediate Similarity 0.8188 NPC102003
Intermediate Similarity 0.8188 NPC270465
Intermediate Similarity 0.8188 NPC92722
Intermediate Similarity 0.8188 NPC9099
Intermediate Similarity 0.8188 NPC134293
Intermediate Similarity 0.8188 NPC87125
Intermediate Similarity 0.8182 NPC9121
Intermediate Similarity 0.8182 NPC177307
Intermediate Similarity 0.8182 NPC158222
Intermediate Similarity 0.8182 NPC156654
Intermediate Similarity 0.8176 NPC125449
Intermediate Similarity 0.8176 NPC275772
Intermediate Similarity 0.8176 NPC239312
Intermediate Similarity 0.8176 NPC130230
Intermediate Similarity 0.8176 NPC476821
Intermediate Similarity 0.8176 NPC168803
Intermediate Similarity 0.8176 NPC188074
Intermediate Similarity 0.8175 NPC209959
Intermediate Similarity 0.817 NPC273843
Intermediate Similarity 0.8169 NPC471690
Intermediate Similarity 0.8158 NPC38898
Intermediate Similarity 0.8158 NPC234485
Intermediate Similarity 0.8156 NPC474519
Intermediate Similarity 0.8151 NPC175013
Intermediate Similarity 0.8146 NPC27208
Intermediate Similarity 0.8146 NPC55205
Intermediate Similarity 0.8138 NPC290550
Intermediate Similarity 0.8138 NPC110810
Intermediate Similarity 0.8138 NPC244923
Intermediate Similarity 0.8134 NPC215392
Intermediate Similarity 0.8134 NPC303737
Intermediate Similarity 0.8133 NPC45873
Intermediate Similarity 0.8133 NPC280295
Intermediate Similarity 0.8133 NPC286342
Intermediate Similarity 0.8133 NPC188871
Intermediate Similarity 0.8133 NPC96501
Intermediate Similarity 0.8133 NPC10467
Intermediate Similarity 0.8133 NPC151473
Intermediate Similarity 0.8133 NPC149127
Intermediate Similarity 0.8129 NPC62219
Intermediate Similarity 0.8125 NPC134969
Intermediate Similarity 0.8125 NPC4796
Intermediate Similarity 0.8125 NPC162939
Intermediate Similarity 0.8121 NPC194856
Intermediate Similarity 0.8121 NPC131451
Intermediate Similarity 0.8121 NPC196277
Intermediate Similarity 0.8121 NPC276930
Intermediate Similarity 0.8121 NPC15329

Drug Structure

External Identifiers

TTD   DNC004185
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5281571
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  220.04
ALogP  -1.2722
MLogP  2.12
XLogP  1.017
HDA  2
HBD  4
Rotatable Bonds  4
TPSA  97.99
RO5 Violation  0