Drug Information

Drug ID:  NPD9265
Drug Name:  
Molecular Formula:  C7H6O3
Canonical SMILES:  Oc1ccc(cc1)C(=O)O
Standard InCHI:  InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
Standard InCHIKey:  FJKROLUGYXJWQN-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9265

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 NPC29883
High Similarity 0.9899 NPC184658
High Similarity 0.9167 NPC131192
High Similarity 0.9038 NPC226699
High Similarity 0.9029 NPC219913
High Similarity 0.9 NPC474890
High Similarity 0.9 NPC241089
High Similarity 0.9 NPC273282
High Similarity 0.9 NPC27633
High Similarity 0.9 NPC94298
High Similarity 0.9 NPC161943
High Similarity 0.8942 NPC6984
High Similarity 0.8942 NPC187913
High Similarity 0.8919 NPC156654
High Similarity 0.8868 NPC95172
High Similarity 0.8824 NPC52472
High Similarity 0.8818 NPC83718
High Similarity 0.8774 NPC17525
High Similarity 0.8774 NPC100551
High Similarity 0.8762 NPC317592
High Similarity 0.875 NPC61779
High Similarity 0.8725 NPC245561
High Similarity 0.8704 NPC212718
High Similarity 0.8704 NPC114682
High Similarity 0.8611 NPC116842
High Similarity 0.8609 NPC67300
High Similarity 0.8545 NPC223004
High Similarity 0.8545 NPC98543
High Similarity 0.8545 NPC242136
High Similarity 0.8545 NPC11824
High Similarity 0.8534 NPC174991
High Similarity 0.8532 NPC268388
High Similarity 0.8515 NPC32977
High Similarity 0.8515 NPC81010
Intermediate Similarity 0.8496 NPC283844
Intermediate Similarity 0.8491 NPC13495
Intermediate Similarity 0.8485 NPC62765
Intermediate Similarity 0.8462 NPC184219
Intermediate Similarity 0.8455 NPC231717
Intermediate Similarity 0.8448 NPC225710
Intermediate Similarity 0.8448 NPC291189
Intermediate Similarity 0.8448 NPC69403
Intermediate Similarity 0.8421 NPC161617
Intermediate Similarity 0.8421 NPC158222
Intermediate Similarity 0.8393 NPC220540
Intermediate Similarity 0.8393 NPC322197
Intermediate Similarity 0.8393 NPC4665
Intermediate Similarity 0.839 NPC49938
Intermediate Similarity 0.8365 NPC280869
Intermediate Similarity 0.8348 NPC159525
Intermediate Similarity 0.8333 NPC34715
Intermediate Similarity 0.8333 NPC303264
Intermediate Similarity 0.8333 NPC141523
Intermediate Similarity 0.8319 NPC204579
Intermediate Similarity 0.8319 NPC110211
Intermediate Similarity 0.8319 NPC95309
Intermediate Similarity 0.8319 NPC473751
Intermediate Similarity 0.8318 NPC163734
Intermediate Similarity 0.8305 NPC221798
Intermediate Similarity 0.8304 NPC81808
Intermediate Similarity 0.8302 NPC13426
Intermediate Similarity 0.8291 NPC68167
Intermediate Similarity 0.8291 NPC475192
Intermediate Similarity 0.8288 NPC17693
Intermediate Similarity 0.8276 NPC248363
Intermediate Similarity 0.8276 NPC297186
Intermediate Similarity 0.8269 NPC260000
Intermediate Similarity 0.8257 NPC224584
Intermediate Similarity 0.8252 NPC246679
Intermediate Similarity 0.825 NPC158654
Intermediate Similarity 0.8246 NPC230349
Intermediate Similarity 0.8246 NPC150919
Intermediate Similarity 0.8241 NPC69332
Intermediate Similarity 0.8241 NPC95178
Intermediate Similarity 0.8241 NPC29989
Intermediate Similarity 0.823 NPC160179
Intermediate Similarity 0.823 NPC278102
Intermediate Similarity 0.8214 NPC211421
Intermediate Similarity 0.8205 NPC224273
Intermediate Similarity 0.8205 NPC19174
Intermediate Similarity 0.8205 NPC73532
Intermediate Similarity 0.8205 NPC115159
Intermediate Similarity 0.8205 NPC156139
Intermediate Similarity 0.8205 NPC143427
Intermediate Similarity 0.8205 NPC45438
Intermediate Similarity 0.8205 NPC267552
Intermediate Similarity 0.819 NPC228435
Intermediate Similarity 0.8182 NPC229894
Intermediate Similarity 0.8182 NPC193203
Intermediate Similarity 0.8182 NPC2596
Intermediate Similarity 0.8182 NPC473744
Intermediate Similarity 0.8174 NPC249435
Intermediate Similarity 0.8174 NPC40649
Intermediate Similarity 0.8174 NPC209486
Intermediate Similarity 0.8167 NPC475236
Intermediate Similarity 0.8158 NPC312800
Intermediate Similarity 0.8158 NPC128825
Intermediate Similarity 0.8136 NPC309765
Intermediate Similarity 0.8136 NPC32032
Intermediate Similarity 0.8136 NPC133909
Intermediate Similarity 0.8131 NPC470202
Intermediate Similarity 0.8115 NPC226855
Intermediate Similarity 0.8115 NPC94810
Intermediate Similarity 0.8115 NPC194979
Intermediate Similarity 0.8115 NPC117899
Intermediate Similarity 0.8113 NPC253746
Intermediate Similarity 0.8103 NPC473767
Intermediate Similarity 0.8099 NPC214620
Intermediate Similarity 0.8091 NPC31274
Intermediate Similarity 0.8087 NPC160199
Intermediate Similarity 0.8083 NPC201728
Intermediate Similarity 0.8083 NPC262671
Intermediate Similarity 0.8081 NPC318107
Intermediate Similarity 0.8077 NPC257182
Intermediate Similarity 0.8077 NPC61944
Intermediate Similarity 0.8073 NPC70843
Intermediate Similarity 0.8058 NPC181709
Intermediate Similarity 0.8051 NPC303737
Intermediate Similarity 0.8051 NPC242895
Intermediate Similarity 0.8049 NPC42292
Intermediate Similarity 0.8049 NPC307732
Intermediate Similarity 0.8037 NPC284477
Intermediate Similarity 0.8034 NPC294037
Intermediate Similarity 0.8033 NPC2401
Intermediate Similarity 0.8018 NPC326187
Intermediate Similarity 0.8018 NPC88141
Intermediate Similarity 0.8017 NPC94637
Intermediate Similarity 0.8 NPC13238
Intermediate Similarity 0.8 NPC128249
Intermediate Similarity 0.8 NPC253423
Intermediate Similarity 0.7984 NPC198249
Intermediate Similarity 0.7984 NPC473777
Intermediate Similarity 0.7984 NPC18798
Intermediate Similarity 0.7983 NPC297193
Intermediate Similarity 0.7982 NPC276111
Intermediate Similarity 0.7982 NPC303141
Intermediate Similarity 0.7982 NPC118288
Intermediate Similarity 0.7966 NPC216216
Intermediate Similarity 0.7966 NPC149246
Intermediate Similarity 0.7966 NPC146642
Intermediate Similarity 0.7963 NPC304638
Intermediate Similarity 0.7951 NPC121104
Intermediate Similarity 0.7949 NPC90522
Intermediate Similarity 0.7949 NPC328459
Intermediate Similarity 0.7946 NPC222084
Intermediate Similarity 0.7946 NPC21162
Intermediate Similarity 0.7931 NPC240664
Intermediate Similarity 0.7931 NPC125252
Intermediate Similarity 0.7931 NPC174087
Intermediate Similarity 0.7925 NPC140619
Intermediate Similarity 0.7925 NPC229242
Intermediate Similarity 0.792 NPC111888
Intermediate Similarity 0.792 NPC302844
Intermediate Similarity 0.7905 NPC286006
Intermediate Similarity 0.7903 NPC285776
Intermediate Similarity 0.7903 NPC17840
Intermediate Similarity 0.7903 NPC109778
Intermediate Similarity 0.7903 NPC247477
Intermediate Similarity 0.7899 NPC215392
Intermediate Similarity 0.7899 NPC120545
Intermediate Similarity 0.7899 NPC198336
Intermediate Similarity 0.7899 NPC295034
Intermediate Similarity 0.789 NPC8931
Intermediate Similarity 0.789 NPC120693
Intermediate Similarity 0.789 NPC261573
Intermediate Similarity 0.7886 NPC41263
Intermediate Similarity 0.7886 NPC293453
Intermediate Similarity 0.7886 NPC95537
Intermediate Similarity 0.7881 NPC72977
Intermediate Similarity 0.7881 NPC260837
Intermediate Similarity 0.7881 NPC233282
Intermediate Similarity 0.7876 NPC23332
Intermediate Similarity 0.787 NPC472585
Intermediate Similarity 0.787 NPC25458
Intermediate Similarity 0.7869 NPC62952
Intermediate Similarity 0.7869 NPC8745
Intermediate Similarity 0.7864 NPC300478
Intermediate Similarity 0.7863 NPC184527
Intermediate Similarity 0.7863 NPC471033
Intermediate Similarity 0.7863 NPC311091
Intermediate Similarity 0.7857 NPC159418
Intermediate Similarity 0.7857 NPC114116
Intermediate Similarity 0.7857 NPC234639
Intermediate Similarity 0.7857 NPC283823
Intermediate Similarity 0.785 NPC217621
Intermediate Similarity 0.7845 NPC470860
Intermediate Similarity 0.784 NPC264145
Intermediate Similarity 0.784 NPC104854
Intermediate Similarity 0.7833 NPC139171
Intermediate Similarity 0.7833 NPC91105
Intermediate Similarity 0.7833 NPC91478
Intermediate Similarity 0.7833 NPC283514
Intermediate Similarity 0.7826 NPC163154
Intermediate Similarity 0.7818 NPC243677
Intermediate Similarity 0.7815 NPC165197
Intermediate Similarity 0.7815 NPC190971
Intermediate Similarity 0.7807 NPC48525
Intermediate Similarity 0.7805 NPC105157
Intermediate Similarity 0.7805 NPC266689
Intermediate Similarity 0.7805 NPC169250

Drug Structure

External Identifiers

TTD   DNC008509
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  138.03
ALogP  -0.7001
MLogP  1.9
XLogP  1.07
HDA  2
HBD  2
Rotatable Bonds  3
TPSA  57.53
RO5 Violation  0