Drug Information

Drug ID:  NPD1007
Drug Name:  Orazipone
Molecular Formula:  C13H14O4S
Canonical SMILES:  CC(=O)C(=Cc1ccc(cc1)S(=O)(=O)C)C(=O)C
Standard InCHI:  InChI=1S/C13H14O4S/c1-9(14)13(10(2)15)8-11-4-6-12(7-5-11)18(3,16)17/h4-8H,1-3H3
Standard InCHIKey:  CAWYWWPWSAMGBV-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1007

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
Intermediate Similarity 0.7529 NPC98880
Intermediate Similarity 0.7442 NPC95289
Intermediate Similarity 0.7412 NPC311343
Intermediate Similarity 0.7333 NPC179726
Intermediate Similarity 0.7283 NPC164086
Intermediate Similarity 0.7174 NPC300205
Intermediate Similarity 0.7065 NPC2785
Intermediate Similarity 0.7065 NPC36342
Intermediate Similarity 0.7065 NPC285470
Intermediate Similarity 0.7033 NPC302129
Remote Similarity 0.6966 NPC74458
Remote Similarity 0.6966 NPC326200
Remote Similarity 0.6957 NPC245966
Remote Similarity 0.6915 NPC190567
Remote Similarity 0.6889 NPC285679
Remote Similarity 0.6875 NPC273758
Remote Similarity 0.6842 NPC145053
Remote Similarity 0.6818 NPC181786
Remote Similarity 0.6809 NPC139901
Remote Similarity 0.6809 NPC151405
Remote Similarity 0.6774 NPC329318
Remote Similarity 0.6742 NPC16190
Remote Similarity 0.6742 NPC169222
Remote Similarity 0.6742 NPC235059
Remote Similarity 0.6737 NPC285716
Remote Similarity 0.6737 NPC71664
Remote Similarity 0.6737 NPC17408
Remote Similarity 0.6703 NPC212463
Remote Similarity 0.6702 NPC76455
Remote Similarity 0.6702 NPC137847
Remote Similarity 0.6667 NPC12936
Remote Similarity 0.6667 NPC273033
Remote Similarity 0.6667 NPC73978
Remote Similarity 0.6632 NPC272260
Remote Similarity 0.66 NPC69057
Remote Similarity 0.66 NPC43945
Remote Similarity 0.6596 NPC3672
Remote Similarity 0.6596 NPC287790
Remote Similarity 0.6562 NPC477703
Remote Similarity 0.6562 NPC95868
Remote Similarity 0.6559 NPC206800
Remote Similarity 0.6559 NPC32203
Remote Similarity 0.6556 NPC5324
Remote Similarity 0.6535 NPC157778
Remote Similarity 0.6531 NPC307163
Remote Similarity 0.6531 NPC215008
Remote Similarity 0.6526 NPC50192
Remote Similarity 0.6526 NPC103488
Remote Similarity 0.6517 NPC52330
Remote Similarity 0.65 NPC160339
Remote Similarity 0.65 NPC307
Remote Similarity 0.6495 NPC89950
Remote Similarity 0.6495 NPC100039
Remote Similarity 0.6465 NPC44546
Remote Similarity 0.6458 NPC78517
Remote Similarity 0.6458 NPC167577
Remote Similarity 0.6436 NPC194326
Remote Similarity 0.6436 NPC53492
Remote Similarity 0.6421 NPC9796
Remote Similarity 0.6415 NPC317400
Remote Similarity 0.6415 NPC175376
Remote Similarity 0.6413 NPC155429
Remote Similarity 0.6408 NPC110420
Remote Similarity 0.6408 NPC173413
Remote Similarity 0.6408 NPC185501
Remote Similarity 0.6408 NPC303967
Remote Similarity 0.6408 NPC67585
Remote Similarity 0.64 NPC123476
Remote Similarity 0.6373 NPC477704
Remote Similarity 0.6373 NPC477693
Remote Similarity 0.6364 NPC197581
Remote Similarity 0.6364 NPC39600
Remote Similarity 0.6364 NPC324624
Remote Similarity 0.6355 NPC278228
Remote Similarity 0.6355 NPC240042
Remote Similarity 0.6354 NPC67863
Remote Similarity 0.6354 NPC176228
Remote Similarity 0.6348 NPC181390
Remote Similarity 0.6346 NPC133461
Remote Similarity 0.6346 NPC476484
Remote Similarity 0.6346 NPC284475
Remote Similarity 0.6344 NPC271437
Remote Similarity 0.6327 NPC71795
Remote Similarity 0.6327 NPC303245
Remote Similarity 0.6322 NPC45255
Remote Similarity 0.6316 NPC78500
Remote Similarity 0.6303 NPC476440
Remote Similarity 0.6296 NPC476120
Remote Similarity 0.6286 NPC1682
Remote Similarity 0.6286 NPC188844
Remote Similarity 0.6286 NPC153885
Remote Similarity 0.6286 NPC59677
Remote Similarity 0.6286 NPC155232
Remote Similarity 0.6277 NPC208075
Remote Similarity 0.6263 NPC99240
Remote Similarity 0.625 NPC108026
Remote Similarity 0.625 NPC19256
Remote Similarity 0.625 NPC298023
Remote Similarity 0.625 NPC277277
Remote Similarity 0.6238 NPC53299
Remote Similarity 0.6238 NPC252067
Remote Similarity 0.6235 NPC269586
Remote Similarity 0.6226 NPC289883
Remote Similarity 0.6226 NPC238219
Remote Similarity 0.6222 NPC36440
Remote Similarity 0.6214 NPC267262
Remote Similarity 0.6214 NPC473345
Remote Similarity 0.62 NPC308619
Remote Similarity 0.62 NPC324835
Remote Similarity 0.62 NPC149263
Remote Similarity 0.62 NPC127491
Remote Similarity 0.618 NPC22627
Remote Similarity 0.6168 NPC260233
Remote Similarity 0.6163 NPC300345
Remote Similarity 0.6163 NPC120441
Remote Similarity 0.6163 NPC65873
Remote Similarity 0.6163 NPC212114
Remote Similarity 0.616 NPC470008
Remote Similarity 0.6154 NPC113307
Remote Similarity 0.6154 NPC418308
Remote Similarity 0.6147 NPC179411
Remote Similarity 0.6147 NPC145052
Remote Similarity 0.6146 NPC175393
Remote Similarity 0.6132 NPC77273
Remote Similarity 0.6132 NPC473661
Remote Similarity 0.6118 NPC277704
Remote Similarity 0.6118 NPC149436
Remote Similarity 0.6111 NPC12695
Remote Similarity 0.61 NPC323103
Remote Similarity 0.6092 NPC8235
Remote Similarity 0.6091 NPC54647
Remote Similarity 0.6078 NPC95965
Remote Similarity 0.6075 NPC291070
Remote Similarity 0.6075 NPC246757
Remote Similarity 0.6075 NPC34243
Remote Similarity 0.6075 NPC71140
Remote Similarity 0.6071 NPC471829
Remote Similarity 0.6071 NPC472691
Remote Similarity 0.6071 NPC475939
Remote Similarity 0.6071 NPC474866
Remote Similarity 0.6061 NPC475573
Remote Similarity 0.6061 NPC157055
Remote Similarity 0.6061 NPC475289
Remote Similarity 0.6061 NPC127343
Remote Similarity 0.6061 NPC121800
Remote Similarity 0.6058 NPC153308
Remote Similarity 0.6055 NPC239185
Remote Similarity 0.6055 NPC103048
Remote Similarity 0.6047 NPC198841
Remote Similarity 0.604 NPC125549
Remote Similarity 0.604 NPC288903
Remote Similarity 0.604 NPC270507
Remote Similarity 0.604 NPC208183
Remote Similarity 0.604 NPC243289
Remote Similarity 0.6038 NPC110704
Remote Similarity 0.6023 NPC169110
Remote Similarity 0.6023 NPC147062
Remote Similarity 0.6019 NPC473347
Remote Similarity 0.6019 NPC148231
Remote Similarity 0.6 NPC49994
Remote Similarity 0.6 NPC231591
Remote Similarity 0.6 NPC173443
Remote Similarity 0.6 NPC75724
Remote Similarity 0.6 NPC134882
Remote Similarity 0.5981 NPC323420
Remote Similarity 0.598 NPC470794
Remote Similarity 0.5979 NPC35599
Remote Similarity 0.5977 NPC469807
Remote Similarity 0.5963 NPC219573
Remote Similarity 0.5963 NPC185208
Remote Similarity 0.5962 NPC286608
Remote Similarity 0.5962 NPC169050
Remote Similarity 0.5962 NPC96625
Remote Similarity 0.596 NPC170484
Remote Similarity 0.5955 NPC248705
Remote Similarity 0.5955 NPC238023
Remote Similarity 0.5955 NPC210849
Remote Similarity 0.5955 NPC135924
Remote Similarity 0.5955 NPC150196
Remote Similarity 0.5955 NPC54368
Remote Similarity 0.5955 NPC310758
Remote Similarity 0.5943 NPC58872
Remote Similarity 0.5941 NPC103387
Remote Similarity 0.5941 NPC230068
Remote Similarity 0.5929 NPC301943
Remote Similarity 0.5929 NPC474365
Remote Similarity 0.5929 NPC68269
Remote Similarity 0.5926 NPC181709
Remote Similarity 0.5926 NPC261181
Remote Similarity 0.5922 NPC294134
Remote Similarity 0.5914 NPC239931
Remote Similarity 0.5914 NPC78954
Remote Similarity 0.5914 NPC82770
Remote Similarity 0.5913 NPC472699
Remote Similarity 0.5913 NPC472700
Remote Similarity 0.5909 NPC64270
Remote Similarity 0.5909 NPC114327
Remote Similarity 0.5909 NPC289201
Remote Similarity 0.5909 NPC36357
Remote Similarity 0.5909 NPC265220

Drug Structure

External Identifiers

TTD   DIB008605
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  266.06
ALogP  -0.5585
MLogP  2.34
XLogP  2.632
HDA  4
HBD  0
Rotatable Bonds  7
TPSA  76.66
RO5 Violation  0