Drug Information

Drug ID:  NPD9281
Drug Name:  
Molecular Formula:  C7H7O6P
Canonical SMILES:  OC(=O)c1ccccc1OP(=O)(O)O
Standard InCHI:  InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
Standard InCHIKey:  FFKUDWZICMJVPA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9281

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 0.9252 NPC100551
High Similarity 0.8839 NPC223004
High Similarity 0.8772 NPC312800
High Similarity 0.8673 NPC211421
High Similarity 0.8621 NPC241089
High Similarity 0.8609 NPC128825
Intermediate Similarity 0.8475 NPC260837
Intermediate Similarity 0.8468 NPC303264
Intermediate Similarity 0.8462 NPC94637
Intermediate Similarity 0.8393 NPC224584
Intermediate Similarity 0.839 NPC90522
Intermediate Similarity 0.839 NPC328459
Intermediate Similarity 0.8376 NPC125252
Intermediate Similarity 0.8319 NPC72977
Intermediate Similarity 0.8319 NPC233282
Intermediate Similarity 0.8264 NPC311219
Intermediate Similarity 0.8235 NPC184579
Intermediate Similarity 0.8235 NPC233165
Intermediate Similarity 0.8214 NPC184658
Intermediate Similarity 0.8214 NPC187913
Intermediate Similarity 0.8182 NPC198336
Intermediate Similarity 0.8142 NPC29883
Intermediate Similarity 0.812 NPC118288
Intermediate Similarity 0.812 NPC276111
Intermediate Similarity 0.8115 NPC283514
Intermediate Similarity 0.8099 NPC115188
Intermediate Similarity 0.8099 NPC179092
Intermediate Similarity 0.8099 NPC159760
Intermediate Similarity 0.8099 NPC292665
Intermediate Similarity 0.8099 NPC178395
Intermediate Similarity 0.8099 NPC244994
Intermediate Similarity 0.8099 NPC35856
Intermediate Similarity 0.8099 NPC222876
Intermediate Similarity 0.8099 NPC26433
Intermediate Similarity 0.8099 NPC301987
Intermediate Similarity 0.8099 NPC272454
Intermediate Similarity 0.8065 NPC179468
Intermediate Similarity 0.8065 NPC4164
Intermediate Similarity 0.8051 NPC188907
Intermediate Similarity 0.8034 NPC98543
Intermediate Similarity 0.8 NPC283844
Intermediate Similarity 0.8 NPC95309
Intermediate Similarity 0.7984 NPC6888
Intermediate Similarity 0.7982 NPC141523
Intermediate Similarity 0.7967 NPC244351
Intermediate Similarity 0.7966 NPC163154
Intermediate Similarity 0.7951 NPC165197
Intermediate Similarity 0.7946 NPC13426
Intermediate Similarity 0.7937 NPC71525
Intermediate Similarity 0.7934 NPC161617
Intermediate Similarity 0.7925 NPC62765
Intermediate Similarity 0.792 NPC240744
Intermediate Similarity 0.792 NPC167055
Intermediate Similarity 0.7917 NPC230349
Intermediate Similarity 0.7917 NPC217423
Intermediate Similarity 0.7917 NPC121259
Intermediate Similarity 0.7903 NPC477153
Intermediate Similarity 0.7899 NPC161304
Intermediate Similarity 0.7899 NPC240163
Intermediate Similarity 0.789 NPC246679
Intermediate Similarity 0.7886 NPC267552
Intermediate Similarity 0.7886 NPC19174
Intermediate Similarity 0.7886 NPC115159
Intermediate Similarity 0.7886 NPC45438
Intermediate Similarity 0.7886 NPC73532
Intermediate Similarity 0.7886 NPC224273
Intermediate Similarity 0.7886 NPC143427
Intermediate Similarity 0.7886 NPC25168
Intermediate Similarity 0.7874 NPC95537
Intermediate Similarity 0.7869 NPC230951
Intermediate Similarity 0.7851 NPC209486
Intermediate Similarity 0.7851 NPC40649
Intermediate Similarity 0.784 NPC236189
Intermediate Similarity 0.784 NPC265910
Intermediate Similarity 0.784 NPC91475
Intermediate Similarity 0.7833 NPC108288
Intermediate Similarity 0.7823 NPC297193
Intermediate Similarity 0.7823 NPC32032
Intermediate Similarity 0.7823 NPC133909
Intermediate Similarity 0.7805 NPC297186
Intermediate Similarity 0.7795 NPC214620
Intermediate Similarity 0.7787 NPC195262
Intermediate Similarity 0.7787 NPC188814
Intermediate Similarity 0.7778 NPC262671
Intermediate Similarity 0.7778 NPC287473
Intermediate Similarity 0.7778 NPC201728
Intermediate Similarity 0.7769 NPC160199
Intermediate Similarity 0.7769 NPC269414
Intermediate Similarity 0.7769 NPC28169
Intermediate Similarity 0.7768 NPC52472
Intermediate Similarity 0.7752 NPC42292
Intermediate Similarity 0.7752 NPC31539
Intermediate Similarity 0.7752 NPC307732
Intermediate Similarity 0.7742 NPC196976
Intermediate Similarity 0.7742 NPC242895
Intermediate Similarity 0.7742 NPC156139
Intermediate Similarity 0.7727 NPC61944
Intermediate Similarity 0.7724 NPC294037
Intermediate Similarity 0.7717 NPC473751
Intermediate Similarity 0.7712 NPC114682
Intermediate Similarity 0.7705 NPC161943
Intermediate Similarity 0.7705 NPC184527
Intermediate Similarity 0.7705 NPC41567
Intermediate Similarity 0.7705 NPC474890
Intermediate Similarity 0.7705 NPC273282
Intermediate Similarity 0.7698 NPC13238
Intermediate Similarity 0.7698 NPC117794
Intermediate Similarity 0.7692 NPC198249
Intermediate Similarity 0.7686 NPC477453
Intermediate Similarity 0.768 NPC309765
Intermediate Similarity 0.7679 NPC245561
Intermediate Similarity 0.7672 NPC34715
Intermediate Similarity 0.7672 NPC226699
Intermediate Similarity 0.7667 NPC81808
Intermediate Similarity 0.7661 NPC149246
Intermediate Similarity 0.7661 NPC146642
Intermediate Similarity 0.7656 NPC181715
Intermediate Similarity 0.7652 NPC13495
Intermediate Similarity 0.7652 NPC219913
Intermediate Similarity 0.7652 NPC163734
Intermediate Similarity 0.7642 NPC158222
Intermediate Similarity 0.7642 NPC232178
Intermediate Similarity 0.7638 NPC472592
Intermediate Similarity 0.7615 NPC17840
Intermediate Similarity 0.7615 NPC247477
Intermediate Similarity 0.7615 NPC12694
Intermediate Similarity 0.76 NPC303737
Intermediate Similarity 0.76 NPC215392
Intermediate Similarity 0.7597 NPC41263
Intermediate Similarity 0.7597 NPC293453
Intermediate Similarity 0.7586 NPC6984
Intermediate Similarity 0.7583 NPC242136
Intermediate Similarity 0.7581 NPC285829
Intermediate Similarity 0.7581 NPC159525
Intermediate Similarity 0.7581 NPC206778
Intermediate Similarity 0.7581 NPC294964
Intermediate Similarity 0.7578 NPC8745
Intermediate Similarity 0.7576 NPC43627
Intermediate Similarity 0.7576 NPC295406
Intermediate Similarity 0.7576 NPC289572
Intermediate Similarity 0.7576 NPC200422
Intermediate Similarity 0.7576 NPC157478
Intermediate Similarity 0.7576 NPC287533
Intermediate Similarity 0.7565 NPC93831
Intermediate Similarity 0.7563 NPC228609
Intermediate Similarity 0.7559 NPC193805
Intermediate Similarity 0.7547 NPC318107
Intermediate Similarity 0.7542 NPC95172
Intermediate Similarity 0.7541 NPC83718
Intermediate Similarity 0.7541 NPC131192
Intermediate Similarity 0.754 NPC68167
Intermediate Similarity 0.754 NPC91105
Intermediate Similarity 0.7522 NPC228435
Intermediate Similarity 0.7519 NPC23126
Intermediate Similarity 0.7519 NPC162612
Intermediate Similarity 0.7519 NPC30501
Intermediate Similarity 0.7519 NPC474097
Intermediate Similarity 0.7519 NPC105157
Intermediate Similarity 0.7519 NPC72158
Intermediate Similarity 0.7519 NPC103356
Intermediate Similarity 0.7519 NPC100067
Intermediate Similarity 0.7519 NPC266689
Intermediate Similarity 0.7519 NPC98254
Intermediate Similarity 0.7519 NPC190043
Intermediate Similarity 0.7519 NPC169250
Intermediate Similarity 0.75 NPC10926
Intermediate Similarity 0.75 NPC156654
Intermediate Similarity 0.75 NPC470160
Intermediate Similarity 0.75 NPC17693
Intermediate Similarity 0.75 NPC253423
Intermediate Similarity 0.748 NPC240664
Intermediate Similarity 0.748 NPC375356
Intermediate Similarity 0.748 NPC472029
Intermediate Similarity 0.748 NPC45104
Intermediate Similarity 0.748 NPC65761
Intermediate Similarity 0.7478 NPC470202
Intermediate Similarity 0.7477 NPC81010
Intermediate Similarity 0.7477 NPC32977
Intermediate Similarity 0.7463 NPC161632
Intermediate Similarity 0.7463 NPC204257
Intermediate Similarity 0.7463 NPC72918
Intermediate Similarity 0.7463 NPC229638
Intermediate Similarity 0.7463 NPC176102
Intermediate Similarity 0.7463 NPC254832
Intermediate Similarity 0.7463 NPC71108
Intermediate Similarity 0.7463 NPC267539
Intermediate Similarity 0.7463 NPC29317
Intermediate Similarity 0.7462 NPC221777
Intermediate Similarity 0.7462 NPC21305
Intermediate Similarity 0.7462 NPC473017
Intermediate Similarity 0.746 NPC226275
Intermediate Similarity 0.7458 NPC17525
Intermediate Similarity 0.7456 NPC282895
Intermediate Similarity 0.7442 NPC267846
Intermediate Similarity 0.7442 NPC62952
Intermediate Similarity 0.744 NPC216297
Intermediate Similarity 0.744 NPC473662
Intermediate Similarity 0.744 NPC7151
Intermediate Similarity 0.744 NPC470092
Intermediate Similarity 0.7438 NPC53953

Drug Structure

External Identifiers

TTD   DNAP001560
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3418
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  218.00
ALogP  -0.6359
MLogP  1.46
XLogP  0.606
HDA  5
HBD  3
Rotatable Bonds  6
TPSA  113.87
RO5 Violation  0