Drug Information

Drug ID:  NPD9280
Drug Name:  
Molecular Formula:  C7H7NO4
Canonical SMILES:  ON=C(c1ccc(c(c1)O)O)O
Standard InCHI:  InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
Standard InCHIKey:  QJMCKEPOKRERLN-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9280

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 0.9519 NPC71266
High Similarity 0.8696 NPC284078
Intermediate Similarity 0.8381 NPC109955
Intermediate Similarity 0.8365 NPC107522
Intermediate Similarity 0.8333 NPC12278
Intermediate Similarity 0.8304 NPC280382
Intermediate Similarity 0.8224 NPC223393
Intermediate Similarity 0.8165 NPC471511
Intermediate Similarity 0.8148 NPC110764
Intermediate Similarity 0.8131 NPC131587
Intermediate Similarity 0.8087 NPC142599
Intermediate Similarity 0.8073 NPC196479
Intermediate Similarity 0.8073 NPC477802
Intermediate Similarity 0.8073 NPC477801
Intermediate Similarity 0.8067 NPC183262
Intermediate Similarity 0.8051 NPC268572
Intermediate Similarity 0.8036 NPC114392
Intermediate Similarity 0.8036 NPC58427
Intermediate Similarity 0.8036 NPC105727
Intermediate Similarity 0.8036 NPC34864
Intermediate Similarity 0.8 NPC52087
Intermediate Similarity 0.8 NPC471485
Intermediate Similarity 0.8 NPC120719
Intermediate Similarity 0.7982 NPC268032
Intermediate Similarity 0.7966 NPC122009
Intermediate Similarity 0.7946 NPC176527
Intermediate Similarity 0.7928 NPC239291
Intermediate Similarity 0.7913 NPC146422
Intermediate Similarity 0.7881 NPC283468
Intermediate Similarity 0.787 NPC315921
Intermediate Similarity 0.787 NPC107619
Intermediate Similarity 0.7857 NPC294902
Intermediate Similarity 0.7857 NPC477814
Intermediate Similarity 0.7857 NPC1075
Intermediate Similarity 0.7857 NPC1786
Intermediate Similarity 0.7845 NPC264558
Intermediate Similarity 0.7838 NPC79672
Intermediate Similarity 0.7833 NPC115627
Intermediate Similarity 0.7833 NPC169207
Intermediate Similarity 0.7833 NPC118522
Intermediate Similarity 0.7826 NPC163674
Intermediate Similarity 0.7807 NPC228343
Intermediate Similarity 0.7807 NPC254833
Intermediate Similarity 0.7778 NPC120280
Intermediate Similarity 0.7739 NPC226401
Intermediate Similarity 0.7739 NPC79793
Intermediate Similarity 0.7739 NPC222084
Intermediate Similarity 0.7739 NPC174096
Intermediate Similarity 0.7739 NPC120982
Intermediate Similarity 0.7739 NPC147634
Intermediate Similarity 0.7719 NPC233835
Intermediate Similarity 0.7712 NPC4665
Intermediate Similarity 0.7699 NPC19149
Intermediate Similarity 0.7692 NPC126637
Intermediate Similarity 0.7672 NPC179002
Intermediate Similarity 0.7672 NPC297657
Intermediate Similarity 0.7672 NPC257430
Intermediate Similarity 0.7672 NPC187583
Intermediate Similarity 0.7652 NPC55617
Intermediate Similarity 0.7652 NPC62258
Intermediate Similarity 0.7642 NPC300478
Intermediate Similarity 0.7642 NPC312304
Intermediate Similarity 0.7619 NPC477839
Intermediate Similarity 0.7603 NPC181969
Intermediate Similarity 0.7603 NPC156654
Intermediate Similarity 0.7603 NPC320987
Intermediate Similarity 0.7603 NPC477803
Intermediate Similarity 0.7565 NPC153690
Intermediate Similarity 0.7563 NPC472893
Intermediate Similarity 0.7542 NPC148969
Intermediate Similarity 0.7541 NPC475245
Intermediate Similarity 0.7541 NPC35071
Intermediate Similarity 0.7541 NPC177475
Intermediate Similarity 0.7541 NPC472071
Intermediate Similarity 0.7541 NPC252817
Intermediate Similarity 0.7541 NPC148615
Intermediate Similarity 0.7523 NPC274678
Intermediate Similarity 0.7521 NPC226250
Intermediate Similarity 0.7521 NPC156840
Intermediate Similarity 0.7521 NPC255675
Intermediate Similarity 0.7521 NPC144343
Intermediate Similarity 0.7521 NPC63126
Intermediate Similarity 0.7521 NPC173746
Intermediate Similarity 0.7521 NPC257124
Intermediate Similarity 0.7521 NPC85276
Intermediate Similarity 0.7521 NPC8547
Intermediate Similarity 0.75 NPC221049
Intermediate Similarity 0.75 NPC7097
Intermediate Similarity 0.75 NPC79844
Intermediate Similarity 0.75 NPC246358
Intermediate Similarity 0.75 NPC150837
Intermediate Similarity 0.75 NPC233731
Intermediate Similarity 0.75 NPC29373
Intermediate Similarity 0.75 NPC36108
Intermediate Similarity 0.748 NPC470414
Intermediate Similarity 0.7477 NPC151764
Intermediate Similarity 0.7459 NPC217174
Intermediate Similarity 0.7458 NPC51698
Intermediate Similarity 0.7458 NPC131530
Intermediate Similarity 0.7456 NPC292452
Intermediate Similarity 0.7453 NPC27974
Intermediate Similarity 0.744 NPC318777
Intermediate Similarity 0.7438 NPC277588
Intermediate Similarity 0.7422 NPC271808
Intermediate Similarity 0.7419 NPC266045
Intermediate Similarity 0.7419 NPC476343
Intermediate Similarity 0.7419 NPC470804
Intermediate Similarity 0.7411 NPC130103
Intermediate Similarity 0.7411 NPC161571
Intermediate Similarity 0.7411 NPC275053
Intermediate Similarity 0.7411 NPC248573
Intermediate Similarity 0.7404 NPC124436
Intermediate Similarity 0.7404 NPC265146
Intermediate Similarity 0.7402 NPC323775
Intermediate Similarity 0.7402 NPC236347
Intermediate Similarity 0.7395 NPC95381
Intermediate Similarity 0.7395 NPC309808
Intermediate Similarity 0.7377 NPC15350
Intermediate Similarity 0.7373 NPC139617
Intermediate Similarity 0.7373 NPC78918
Intermediate Similarity 0.7368 NPC30506
Intermediate Similarity 0.7364 NPC313650
Intermediate Similarity 0.736 NPC209567
Intermediate Similarity 0.7358 NPC23167
Intermediate Similarity 0.7355 NPC299252
Intermediate Similarity 0.7355 NPC277394
Intermediate Similarity 0.7355 NPC61062
Intermediate Similarity 0.7353 NPC204932
Intermediate Similarity 0.735 NPC473524
Intermediate Similarity 0.7344 NPC186898
Intermediate Similarity 0.7344 NPC153990
Intermediate Similarity 0.7344 NPC251571
Intermediate Similarity 0.7339 NPC24125
Intermediate Similarity 0.7339 NPC295295
Intermediate Similarity 0.7333 NPC33749
Intermediate Similarity 0.7333 NPC248817
Intermediate Similarity 0.7333 NPC328593
Intermediate Similarity 0.7333 NPC261453
Intermediate Similarity 0.7333 NPC217472
Intermediate Similarity 0.7333 NPC175313
Intermediate Similarity 0.7317 NPC226629
Intermediate Similarity 0.7317 NPC20674
Intermediate Similarity 0.7317 NPC176893
Intermediate Similarity 0.7317 NPC191866
Intermediate Similarity 0.7317 NPC135961
Intermediate Similarity 0.7315 NPC192
Intermediate Similarity 0.7315 NPC300017
Intermediate Similarity 0.7308 NPC114102
Intermediate Similarity 0.7302 NPC212541
Intermediate Similarity 0.7302 NPC473451
Intermediate Similarity 0.7297 NPC202986
Intermediate Similarity 0.7295 NPC259638
Intermediate Similarity 0.7295 NPC293619
Intermediate Similarity 0.7295 NPC175799
Intermediate Similarity 0.7295 NPC610
Intermediate Similarity 0.7295 NPC145023
Intermediate Similarity 0.7295 NPC200988
Intermediate Similarity 0.7295 NPC278652
Intermediate Similarity 0.729 NPC25493
Intermediate Similarity 0.729 NPC104216
Intermediate Similarity 0.729 NPC113460
Intermediate Similarity 0.7281 NPC178902
Intermediate Similarity 0.728 NPC322332
Intermediate Similarity 0.728 NPC237667
Intermediate Similarity 0.728 NPC147654
Intermediate Similarity 0.728 NPC472271
Intermediate Similarity 0.7273 NPC233669
Intermediate Similarity 0.7273 NPC474967
Intermediate Similarity 0.7265 NPC95344
Intermediate Similarity 0.7264 NPC197783
Intermediate Similarity 0.7258 NPC229401
Intermediate Similarity 0.7258 NPC232084
Intermediate Similarity 0.7258 NPC247364
Intermediate Similarity 0.7258 NPC10932
Intermediate Similarity 0.7258 NPC61516
Intermediate Similarity 0.7257 NPC10588
Intermediate Similarity 0.7257 NPC166761
Intermediate Similarity 0.7252 NPC214869
Intermediate Similarity 0.7248 NPC45040
Intermediate Similarity 0.7248 NPC304541
Intermediate Similarity 0.7248 NPC231150
Intermediate Similarity 0.7244 NPC183446
Intermediate Similarity 0.7244 NPC146355
Intermediate Similarity 0.7244 NPC131747
Intermediate Similarity 0.7244 NPC257682
Intermediate Similarity 0.7241 NPC231705
Intermediate Similarity 0.7239 NPC312770
Intermediate Similarity 0.7239 NPC14600
Intermediate Similarity 0.7239 NPC160607
Intermediate Similarity 0.7239 NPC204848
Intermediate Similarity 0.7239 NPC41473
Intermediate Similarity 0.7236 NPC470626
Intermediate Similarity 0.7236 NPC275519
Intermediate Similarity 0.7236 NPC203124
Intermediate Similarity 0.7236 NPC309434
Intermediate Similarity 0.7236 NPC86198
Intermediate Similarity 0.7232 NPC32674
Intermediate Similarity 0.7232 NPC291789
Intermediate Similarity 0.7232 NPC474073
Intermediate Similarity 0.7232 NPC152097

Drug Structure

External Identifiers

TTD   DNC000557
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3045
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  169.04
ALogP  -1.1185
MLogP  1.68
XLogP  0.779
HDA  1
HBD  4
Rotatable Bonds  5
TPSA  93.28
RO5 Violation  0