Drug Information

Drug ID:  NPD9267
Drug Name:  
Molecular Formula:  C7H6O3
Canonical SMILES:  OC(=O)c1ccccc1[O-]
Standard InCHI:  InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
Standard InCHIKey:  YGSDEFSMJLZEOE-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9267

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 0.99 NPC100551
High Similarity 0.9245 NPC211421
High Similarity 0.9245 NPC223004
High Similarity 0.9167 NPC128825
High Similarity 0.9167 NPC312800
High Similarity 0.9038 NPC303264
High Similarity 0.9 NPC94637
High Similarity 0.9 NPC241089
High Similarity 0.8952 NPC224584
High Similarity 0.8919 NPC90522
High Similarity 0.8919 NPC328459
High Similarity 0.8909 NPC125252
High Similarity 0.8839 NPC72977
High Similarity 0.8839 NPC233282
High Similarity 0.8839 NPC260837
High Similarity 0.8762 NPC184658
High Similarity 0.8762 NPC187913
High Similarity 0.875 NPC233165
High Similarity 0.875 NPC184579
High Similarity 0.8679 NPC29883
High Similarity 0.8636 NPC276111
High Similarity 0.8636 NPC118288
High Similarity 0.8609 NPC311219
High Similarity 0.8596 NPC178395
High Similarity 0.8596 NPC159760
High Similarity 0.8596 NPC272454
High Similarity 0.8596 NPC222876
High Similarity 0.8596 NPC115188
High Similarity 0.8596 NPC26433
High Similarity 0.8596 NPC301987
High Similarity 0.8596 NPC179092
High Similarity 0.8596 NPC292665
High Similarity 0.8596 NPC244994
High Similarity 0.8596 NPC35856
High Similarity 0.8559 NPC188907
High Similarity 0.8522 NPC198336
High Similarity 0.8505 NPC141523
Intermediate Similarity 0.8496 NPC283844
Intermediate Similarity 0.8485 NPC62765
Intermediate Similarity 0.8476 NPC13426
Intermediate Similarity 0.8468 NPC163154
Intermediate Similarity 0.8448 NPC283514
Intermediate Similarity 0.8448 NPC244351
Intermediate Similarity 0.8431 NPC246679
Intermediate Similarity 0.8421 NPC161617
Intermediate Similarity 0.8407 NPC121259
Intermediate Similarity 0.8407 NPC217423
Intermediate Similarity 0.8393 NPC161304
Intermediate Similarity 0.8393 NPC240163
Intermediate Similarity 0.839 NPC4164
Intermediate Similarity 0.839 NPC179468
Intermediate Similarity 0.8378 NPC98543
Intermediate Similarity 0.8319 NPC95309
Intermediate Similarity 0.8319 NPC108288
Intermediate Similarity 0.8305 NPC91475
Intermediate Similarity 0.8305 NPC236189
Intermediate Similarity 0.8305 NPC6888
Intermediate Similarity 0.8305 NPC265910
Intermediate Similarity 0.8286 NPC52472
Intermediate Similarity 0.8276 NPC165197
Intermediate Similarity 0.8276 NPC297186
Intermediate Similarity 0.8261 NPC188814
Intermediate Similarity 0.8261 NPC195262
Intermediate Similarity 0.825 NPC71525
Intermediate Similarity 0.8246 NPC230349
Intermediate Similarity 0.8246 NPC269414
Intermediate Similarity 0.8246 NPC28169
Intermediate Similarity 0.8246 NPC160199
Intermediate Similarity 0.8235 NPC240744
Intermediate Similarity 0.8235 NPC167055
Intermediate Similarity 0.822 NPC477153
Intermediate Similarity 0.8205 NPC25168
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 NPC45438
Intermediate Similarity 0.8205 NPC143427
Intermediate Similarity 0.8205 NPC267552
Intermediate Similarity 0.8198 NPC114682
Intermediate Similarity 0.819 NPC245561
Intermediate Similarity 0.819 NPC230951
Intermediate Similarity 0.8182 NPC95537
Intermediate Similarity 0.8174 NPC474890
Intermediate Similarity 0.8174 NPC184527
Intermediate Similarity 0.8174 NPC40649
Intermediate Similarity 0.8174 NPC161943
Intermediate Similarity 0.8174 NPC273282
Intermediate Similarity 0.8174 NPC41567
Intermediate Similarity 0.8174 NPC209486
Intermediate Similarity 0.8165 NPC226699
Intermediate Similarity 0.8165 NPC34715
Intermediate Similarity 0.8158 NPC477453
Intermediate Similarity 0.8148 NPC219913
Intermediate Similarity 0.8148 NPC163734
Intermediate Similarity 0.8142 NPC81808
Intermediate Similarity 0.8136 NPC309765
Intermediate Similarity 0.8136 NPC297193
Intermediate Similarity 0.8136 NPC32032
Intermediate Similarity 0.8136 NPC133909
Intermediate Similarity 0.8099 NPC181715
Intermediate Similarity 0.8099 NPC214620
Intermediate Similarity 0.8083 NPC201728
Intermediate Similarity 0.8083 NPC262671
Intermediate Similarity 0.8083 NPC287473
Intermediate Similarity 0.8081 NPC318107
Intermediate Similarity 0.8077 NPC61944
Intermediate Similarity 0.8073 NPC6984
Intermediate Similarity 0.8053 NPC242136
Intermediate Similarity 0.8051 NPC303737
Intermediate Similarity 0.8051 NPC196976
Intermediate Similarity 0.8051 NPC242895
Intermediate Similarity 0.8049 NPC42292
Intermediate Similarity 0.8049 NPC307732
Intermediate Similarity 0.8049 NPC31539
Intermediate Similarity 0.8034 NPC294037
Intermediate Similarity 0.8034 NPC206778
Intermediate Similarity 0.8034 NPC294964
Intermediate Similarity 0.8034 NPC285829
Intermediate Similarity 0.8018 NPC95172
Intermediate Similarity 0.8017 NPC473751
Intermediate Similarity 0.8 NPC131192
Intermediate Similarity 0.8 NPC13238
Intermediate Similarity 0.8 NPC117794
Intermediate Similarity 0.8 NPC83718
Intermediate Similarity 0.8 NPC193805
Intermediate Similarity 0.8 NPC253423
Intermediate Similarity 0.7984 NPC198249
Intermediate Similarity 0.7982 NPC13495
Intermediate Similarity 0.7981 NPC32977
Intermediate Similarity 0.7981 NPC81010
Intermediate Similarity 0.7966 NPC149246
Intermediate Similarity 0.7966 NPC146642
Intermediate Similarity 0.7963 NPC470202
Intermediate Similarity 0.7949 NPC232178
Intermediate Similarity 0.7949 NPC158222
Intermediate Similarity 0.7934 NPC472592
Intermediate Similarity 0.7931 NPC240664
Intermediate Similarity 0.7931 NPC45104
Intermediate Similarity 0.7928 NPC17525
Intermediate Similarity 0.7925 NPC229242
Intermediate Similarity 0.7909 NPC317592
Intermediate Similarity 0.7905 NPC257182
Intermediate Similarity 0.7903 NPC17840
Intermediate Similarity 0.7903 NPC12694
Intermediate Similarity 0.7903 NPC247477
Intermediate Similarity 0.7899 NPC215392
Intermediate Similarity 0.7895 NPC53953
Intermediate Similarity 0.7895 NPC279916
Intermediate Similarity 0.789 NPC93831
Intermediate Similarity 0.7886 NPC41263
Intermediate Similarity 0.7886 NPC293453
Intermediate Similarity 0.7881 NPC216297
Intermediate Similarity 0.7881 NPC473662
Intermediate Similarity 0.7881 NPC470092
Intermediate Similarity 0.7881 NPC7151
Intermediate Similarity 0.7881 NPC159525
Intermediate Similarity 0.7876 NPC228609
Intermediate Similarity 0.7876 NPC212718
Intermediate Similarity 0.787 NPC25458
Intermediate Similarity 0.7869 NPC62952
Intermediate Similarity 0.7869 NPC8745
Intermediate Similarity 0.7863 NPC27633
Intermediate Similarity 0.7863 NPC94298
Intermediate Similarity 0.7857 NPC43627
Intermediate Similarity 0.7857 NPC287533
Intermediate Similarity 0.7857 NPC200422
Intermediate Similarity 0.7857 NPC289572
Intermediate Similarity 0.7857 NPC157478
Intermediate Similarity 0.7857 NPC295406
Intermediate Similarity 0.785 NPC280869
Intermediate Similarity 0.785 NPC228435
Intermediate Similarity 0.785 NPC217621
Intermediate Similarity 0.784 NPC214702
Intermediate Similarity 0.784 NPC470831
Intermediate Similarity 0.784 NPC7012
Intermediate Similarity 0.7833 NPC46634
Intermediate Similarity 0.7833 NPC68167
Intermediate Similarity 0.7833 NPC300274
Intermediate Similarity 0.7833 NPC307174
Intermediate Similarity 0.7833 NPC91105
Intermediate Similarity 0.7833 NPC67300
Intermediate Similarity 0.783 NPC283711
Intermediate Similarity 0.7818 NPC303141
Intermediate Similarity 0.7807 NPC17693
Intermediate Similarity 0.7805 NPC105157
Intermediate Similarity 0.7805 NPC266689
Intermediate Similarity 0.7805 NPC72158
Intermediate Similarity 0.7805 NPC162612
Intermediate Similarity 0.7805 NPC169250
Intermediate Similarity 0.7805 NPC100067
Intermediate Similarity 0.7805 NPC23126
Intermediate Similarity 0.7805 NPC190043
Intermediate Similarity 0.7805 NPC98254
Intermediate Similarity 0.7805 NPC103356
Intermediate Similarity 0.7805 NPC30501
Intermediate Similarity 0.7797 NPC61779
Intermediate Similarity 0.7797 NPC156654
Intermediate Similarity 0.7795 NPC474097

Drug Structure

External Identifiers

TTD   DIB008048; DIB006627; DIB014403
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  137.02
ALogP  -1.0339
MLogP  1.9
XLogP  2.264
HDA  2
HBD  1
Rotatable Bonds  3
TPSA  60.36
RO5 Violation  0