Drug Information

Drug ID:  NPD2309
Drug Name:  Benziodarone
Molecular Formula:  C17H12I2O3
Canonical SMILES:  CCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)O)cccc2
Standard InCHI:  InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
Standard InCHIKey:  CZCHIEJNWPNBDE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2309

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 0.8865 NPC62735
High Similarity 0.8857 NPC163029
High Similarity 0.8851 NPC156244
High Similarity 0.8828 NPC230943
High Similarity 0.8792 NPC67654
High Similarity 0.8759 NPC225884
High Similarity 0.8759 NPC302181
High Similarity 0.869 NPC53192
High Similarity 0.8649 NPC135325
High Similarity 0.8639 NPC300267
High Similarity 0.8639 NPC51641
High Similarity 0.8639 NPC210826
High Similarity 0.8618 NPC247677
High Similarity 0.8618 NPC160015
High Similarity 0.86 NPC23668
High Similarity 0.86 NPC115324
High Similarity 0.86 NPC193976
High Similarity 0.8591 NPC37226
High Similarity 0.8591 NPC226644
High Similarity 0.8581 NPC17816
High Similarity 0.8581 NPC130581
High Similarity 0.8581 NPC252208
High Similarity 0.8581 NPC12148
High Similarity 0.8571 NPC155144
High Similarity 0.8562 NPC296957
High Similarity 0.8562 NPC260902
High Similarity 0.8543 NPC142308
High Similarity 0.8543 NPC41326
High Similarity 0.8543 NPC207624
High Similarity 0.8533 NPC230713
High Similarity 0.8533 NPC167576
High Similarity 0.8533 NPC78335
High Similarity 0.8523 NPC272194
High Similarity 0.8506 NPC244750
High Similarity 0.8506 NPC476350
High Similarity 0.8506 NPC476349
Intermediate Similarity 0.8487 NPC235333
Intermediate Similarity 0.8487 NPC213608
Intermediate Similarity 0.8487 NPC1477
Intermediate Similarity 0.8477 NPC58668
Intermediate Similarity 0.8477 NPC170169
Intermediate Similarity 0.8477 NPC106372
Intermediate Similarity 0.8467 NPC178202
Intermediate Similarity 0.8467 NPC296030
Intermediate Similarity 0.8467 NPC221868
Intermediate Similarity 0.8467 NPC226578
Intermediate Similarity 0.8467 NPC37208
Intermediate Similarity 0.8467 NPC39929
Intermediate Similarity 0.8452 NPC115432
Intermediate Similarity 0.8452 NPC260296
Intermediate Similarity 0.8446 NPC98926
Intermediate Similarity 0.8431 NPC148938
Intermediate Similarity 0.8431 NPC213936
Intermediate Similarity 0.8431 NPC297531
Intermediate Similarity 0.8431 NPC99199
Intermediate Similarity 0.8421 NPC5871
Intermediate Similarity 0.8377 NPC13879
Intermediate Similarity 0.8366 NPC72370
Intermediate Similarity 0.8366 NPC472462
Intermediate Similarity 0.8355 NPC116604
Intermediate Similarity 0.8345 NPC228661
Intermediate Similarity 0.8344 NPC143402
Intermediate Similarity 0.8323 NPC246647
Intermediate Similarity 0.8323 NPC212967
Intermediate Similarity 0.8323 NPC96342
Intermediate Similarity 0.8323 NPC268360
Intermediate Similarity 0.8323 NPC164110
Intermediate Similarity 0.8323 NPC65504
Intermediate Similarity 0.8312 NPC198490
Intermediate Similarity 0.8301 NPC263676
Intermediate Similarity 0.8299 NPC28337
Intermediate Similarity 0.8296 NPC246214
Intermediate Similarity 0.8291 NPC155640
Intermediate Similarity 0.8269 NPC472877
Intermediate Similarity 0.8269 NPC40583
Intermediate Similarity 0.8258 NPC137100
Intermediate Similarity 0.8258 NPC180924
Intermediate Similarity 0.8247 NPC122365
Intermediate Similarity 0.8247 NPC183874
Intermediate Similarity 0.8219 NPC265181
Intermediate Similarity 0.8217 NPC300680
Intermediate Similarity 0.8214 NPC22783
Intermediate Similarity 0.82 NPC303185
Intermediate Similarity 0.82 NPC184649
Intermediate Similarity 0.8188 NPC96791
Intermediate Similarity 0.8188 NPC226942
Intermediate Similarity 0.8188 NPC202981
Intermediate Similarity 0.8188 NPC470636
Intermediate Similarity 0.8176 NPC38591
Intermediate Similarity 0.8169 NPC7569
Intermediate Similarity 0.8169 NPC245395
Intermediate Similarity 0.8169 NPC278787
Intermediate Similarity 0.8165 NPC188486
Intermediate Similarity 0.8163 NPC112757
Intermediate Similarity 0.8163 NPC124269
Intermediate Similarity 0.8158 NPC280025
Intermediate Similarity 0.8151 NPC240593
Intermediate Similarity 0.8151 NPC213603
Intermediate Similarity 0.8146 NPC299011
Intermediate Similarity 0.8141 NPC45131
Intermediate Similarity 0.8137 NPC186392
Intermediate Similarity 0.8137 NPC320789
Intermediate Similarity 0.8133 NPC17262
Intermediate Similarity 0.8133 NPC27798
Intermediate Similarity 0.8133 NPC113770
Intermediate Similarity 0.8133 NPC93241
Intermediate Similarity 0.8129 NPC193805
Intermediate Similarity 0.8129 NPC158261
Intermediate Similarity 0.8129 NPC42458
Intermediate Similarity 0.8125 NPC29411
Intermediate Similarity 0.8125 NPC291110
Intermediate Similarity 0.8121 NPC69755
Intermediate Similarity 0.8113 NPC84515
Intermediate Similarity 0.8113 NPC3448
Intermediate Similarity 0.8113 NPC477239
Intermediate Similarity 0.8113 NPC312056
Intermediate Similarity 0.8112 NPC141549
Intermediate Similarity 0.8105 NPC317492
Intermediate Similarity 0.8099 NPC939
Intermediate Similarity 0.8095 NPC250266
Intermediate Similarity 0.8095 NPC254841
Intermediate Similarity 0.8095 NPC266597
Intermediate Similarity 0.8095 NPC188879
Intermediate Similarity 0.8092 NPC198427
Intermediate Similarity 0.8089 NPC473282
Intermediate Similarity 0.8089 NPC104380
Intermediate Similarity 0.8089 NPC294300
Intermediate Similarity 0.8089 NPC476404
Intermediate Similarity 0.8089 NPC217602
Intermediate Similarity 0.8089 NPC317900
Intermediate Similarity 0.8082 NPC9985
Intermediate Similarity 0.8082 NPC239495
Intermediate Similarity 0.8079 NPC311144
Intermediate Similarity 0.8079 NPC234629
Intermediate Similarity 0.8079 NPC311741
Intermediate Similarity 0.8077 NPC474542
Intermediate Similarity 0.8069 NPC57601
Intermediate Similarity 0.8067 NPC117674
Intermediate Similarity 0.8067 NPC144499
Intermediate Similarity 0.8065 NPC125300
Intermediate Similarity 0.8065 NPC253872
Intermediate Similarity 0.8063 NPC89131
Intermediate Similarity 0.8063 NPC109180
Intermediate Similarity 0.8063 NPC159508
Intermediate Similarity 0.8056 NPC313618
Intermediate Similarity 0.8056 NPC262359
Intermediate Similarity 0.8056 NPC308037
Intermediate Similarity 0.8056 NPC64359
Intermediate Similarity 0.8054 NPC475680
Intermediate Similarity 0.8054 NPC270883
Intermediate Similarity 0.8054 NPC261227
Intermediate Similarity 0.8054 NPC305355
Intermediate Similarity 0.8054 NPC69769
Intermediate Similarity 0.8054 NPC172986
Intermediate Similarity 0.8054 NPC235239
Intermediate Similarity 0.8052 NPC472406
Intermediate Similarity 0.8052 NPC13282
Intermediate Similarity 0.805 NPC304387
Intermediate Similarity 0.8041 NPC188947
Intermediate Similarity 0.8041 NPC279668
Intermediate Similarity 0.8041 NPC12175
Intermediate Similarity 0.8041 NPC278323
Intermediate Similarity 0.8041 NPC99333
Intermediate Similarity 0.8041 NPC90665
Intermediate Similarity 0.8041 NPC309154
Intermediate Similarity 0.8041 NPC55162
Intermediate Similarity 0.8041 NPC201395
Intermediate Similarity 0.8041 NPC280284
Intermediate Similarity 0.8039 NPC168085
Intermediate Similarity 0.8039 NPC39195
Intermediate Similarity 0.8038 NPC196879
Intermediate Similarity 0.8038 NPC16935
Intermediate Similarity 0.8037 NPC120220
Intermediate Similarity 0.8027 NPC47815
Intermediate Similarity 0.8027 NPC473887
Intermediate Similarity 0.8027 NPC194281
Intermediate Similarity 0.8027 NPC127447
Intermediate Similarity 0.8027 NPC231772
Intermediate Similarity 0.8027 NPC13408
Intermediate Similarity 0.8027 NPC234133
Intermediate Similarity 0.8027 NPC29353
Intermediate Similarity 0.8027 NPC124784
Intermediate Similarity 0.8026 NPC477955
Intermediate Similarity 0.8025 NPC50394
Intermediate Similarity 0.8025 NPC86477
Intermediate Similarity 0.8025 NPC472461
Intermediate Similarity 0.8014 NPC286336
Intermediate Similarity 0.8014 NPC237868
Intermediate Similarity 0.8014 NPC172262
Intermediate Similarity 0.8013 NPC166138
Intermediate Similarity 0.8013 NPC290927
Intermediate Similarity 0.8013 NPC106985
Intermediate Similarity 0.8013 NPC262935
Intermediate Similarity 0.8013 NPC11700
Intermediate Similarity 0.8013 NPC251182
Intermediate Similarity 0.8013 NPC179170
Intermediate Similarity 0.8013 NPC18585
Intermediate Similarity 0.8013 NPC172182
Intermediate Similarity 0.8012 NPC204088
Intermediate Similarity 0.8012 NPC169471

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  517.89
ALogP  1.7253
MLogP  2.78
XLogP  5.421
HDA  1
HBD  1
Rotatable Bonds  7
TPSA  50.44
RO5 Violation  1