Drug Information

Drug ID:  NPD774
Drug Name:  Oxibendazole
Molecular Formula:  C12H15N3O3
Canonical SMILES:  CCCOc1ccc2c(c1)[nH]c(n2)N=C(OC)O
Standard InCHI:  InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
Standard InCHIKey:  RAOCRURYZCVHMG-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD774

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 0.7895 NPC187145
Intermediate Similarity 0.7746 NPC42483
Intermediate Similarity 0.768 NPC285635
Intermediate Similarity 0.7487 NPC258773
Intermediate Similarity 0.7432 NPC316756
Intermediate Similarity 0.7306 NPC118776
Intermediate Similarity 0.7259 NPC110741
Intermediate Similarity 0.7196 NPC1527
Intermediate Similarity 0.712 NPC36168
Intermediate Similarity 0.7102 NPC216159
Intermediate Similarity 0.7056 NPC84478
Intermediate Similarity 0.7053 NPC223427
Intermediate Similarity 0.7005 NPC176127
Remote Similarity 0.6995 NPC131017
Remote Similarity 0.699 NPC121772
Remote Similarity 0.6986 NPC471736
Remote Similarity 0.6971 NPC162484
Remote Similarity 0.6957 NPC232727
Remote Similarity 0.6942 NPC18487
Remote Similarity 0.6923 NPC199277
Remote Similarity 0.6923 NPC135887
Remote Similarity 0.6908 NPC176538
Remote Similarity 0.6907 NPC314557
Remote Similarity 0.6893 NPC72211
Remote Similarity 0.6878 NPC251090
Remote Similarity 0.6863 NPC307963
Remote Similarity 0.6845 NPC243834
Remote Similarity 0.6845 NPC70956
Remote Similarity 0.6842 NPC291535
Remote Similarity 0.6842 NPC475085
Remote Similarity 0.6842 NPC475112
Remote Similarity 0.684 NPC308392
Remote Similarity 0.6837 NPC315715
Remote Similarity 0.6827 NPC315957
Remote Similarity 0.6825 NPC476106
Remote Similarity 0.6796 NPC70259
Remote Similarity 0.6796 NPC13880
Remote Similarity 0.6792 NPC193777
Remote Similarity 0.6791 NPC48353
Remote Similarity 0.6773 NPC60621
Remote Similarity 0.6761 NPC476465
Remote Similarity 0.6759 NPC471080
Remote Similarity 0.6759 NPC469592
Remote Similarity 0.6758 NPC213530
Remote Similarity 0.6758 NPC193267
Remote Similarity 0.6749 NPC296527
Remote Similarity 0.6748 NPC43787
Remote Similarity 0.6748 NPC205934
Remote Similarity 0.6729 NPC201697
Remote Similarity 0.6727 NPC86078
Remote Similarity 0.6719 NPC79911
Remote Similarity 0.6716 NPC76748
Remote Similarity 0.6713 NPC471603
Remote Similarity 0.67 NPC161887
Remote Similarity 0.6699 NPC84853
Remote Similarity 0.6698 NPC123976
Remote Similarity 0.6698 NPC167860
Remote Similarity 0.6698 NPC113369
Remote Similarity 0.6697 NPC310118
Remote Similarity 0.6684 NPC121658
Remote Similarity 0.6684 NPC14651
Remote Similarity 0.6683 NPC92111
Remote Similarity 0.6682 NPC475910
Remote Similarity 0.6667 NPC19872
Remote Similarity 0.6667 NPC120798
Remote Similarity 0.6652 NPC30540
Remote Similarity 0.6651 NPC50511
Remote Similarity 0.665 NPC474409
Remote Similarity 0.6636 NPC316981
Remote Similarity 0.6636 NPC469594
Remote Similarity 0.6635 NPC470586
Remote Similarity 0.6633 NPC476518
Remote Similarity 0.6631 NPC114209
Remote Similarity 0.6622 NPC110151
Remote Similarity 0.6621 NPC152768
Remote Similarity 0.6621 NPC148183
Remote Similarity 0.6619 NPC187558
Remote Similarity 0.6617 NPC219963
Remote Similarity 0.6608 NPC160666
Remote Similarity 0.66 NPC72980
Remote Similarity 0.659 NPC242923
Remote Similarity 0.6588 NPC329747
Remote Similarity 0.6578 NPC227908
Remote Similarity 0.6558 NPC321428
Remote Similarity 0.6557 NPC476044
Remote Similarity 0.6557 NPC267423
Remote Similarity 0.6555 NPC242209
Remote Similarity 0.655 NPC283152
Remote Similarity 0.6547 NPC477532
Remote Similarity 0.6546 NPC224632
Remote Similarity 0.654 NPC128823
Remote Similarity 0.6537 NPC66083
Remote Similarity 0.6535 NPC266551
Remote Similarity 0.652 NPC252251
Remote Similarity 0.6514 NPC87413
Remote Similarity 0.6513 NPC56271
Remote Similarity 0.6509 NPC329793
Remote Similarity 0.6497 NPC278874
Remote Similarity 0.6496 NPC295452
Remote Similarity 0.6496 NPC171393
Remote Similarity 0.6486 NPC303658
Remote Similarity 0.6482 NPC111624
Remote Similarity 0.6481 NPC4687
Remote Similarity 0.6481 NPC249583
Remote Similarity 0.6471 NPC62069
Remote Similarity 0.6465 NPC285558
Remote Similarity 0.6463 NPC477531
Remote Similarity 0.6462 NPC177404
Remote Similarity 0.6459 NPC279401
Remote Similarity 0.6459 NPC79293
Remote Similarity 0.6457 NPC308906
Remote Similarity 0.6456 NPC46580
Remote Similarity 0.6456 NPC472068
Remote Similarity 0.6455 NPC476287
Remote Similarity 0.6453 NPC144114
Remote Similarity 0.645 NPC95898
Remote Similarity 0.6447 NPC66777
Remote Similarity 0.6447 NPC471762
Remote Similarity 0.6436 NPC88363
Remote Similarity 0.6435 NPC472111
Remote Similarity 0.6435 NPC300156
Remote Similarity 0.6435 NPC45190
Remote Similarity 0.6432 NPC476688
Remote Similarity 0.6432 NPC249040
Remote Similarity 0.6432 NPC105758
Remote Similarity 0.6432 NPC476686
Remote Similarity 0.6429 NPC280638
Remote Similarity 0.6425 NPC242928
Remote Similarity 0.6422 NPC185782
Remote Similarity 0.6422 NPC212535
Remote Similarity 0.6419 NPC476138
Remote Similarity 0.6419 NPC245816
Remote Similarity 0.6419 NPC209174
Remote Similarity 0.6418 NPC288943
Remote Similarity 0.6416 NPC122436
Remote Similarity 0.6413 NPC46561
Remote Similarity 0.6409 NPC26679
Remote Similarity 0.6406 NPC26872
Remote Similarity 0.6404 NPC157931
Remote Similarity 0.6402 NPC472031
Remote Similarity 0.6402 NPC472066
Remote Similarity 0.6402 NPC472067
Remote Similarity 0.64 NPC17305
Remote Similarity 0.6398 NPC477795
Remote Similarity 0.6398 NPC477796
Remote Similarity 0.6398 NPC477805
Remote Similarity 0.6398 NPC477806
Remote Similarity 0.6396 NPC8022
Remote Similarity 0.6396 NPC470799
Remote Similarity 0.6389 NPC470930
Remote Similarity 0.6386 NPC96890
Remote Similarity 0.638 NPC478074
Remote Similarity 0.6373 NPC314394
Remote Similarity 0.6373 NPC477891
Remote Similarity 0.6368 NPC12100
Remote Similarity 0.6368 NPC305984
Remote Similarity 0.6368 NPC153042
Remote Similarity 0.6359 NPC314002
Remote Similarity 0.6359 NPC94943
Remote Similarity 0.6359 NPC20249
Remote Similarity 0.6359 NPC300238
Remote Similarity 0.6356 NPC477533
Remote Similarity 0.6356 NPC39092
Remote Similarity 0.6347 NPC469589
Remote Similarity 0.6347 NPC174672
Remote Similarity 0.6347 NPC209769
Remote Similarity 0.6344 NPC130570
Remote Similarity 0.6339 NPC247803
Remote Similarity 0.6335 NPC310211
Remote Similarity 0.6335 NPC308137
Remote Similarity 0.6335 NPC294620
Remote Similarity 0.6327 NPC198503
Remote Similarity 0.6325 NPC6786
Remote Similarity 0.6323 NPC288349
Remote Similarity 0.6323 NPC170114
Remote Similarity 0.632 NPC260434
Remote Similarity 0.6318 NPC471304
Remote Similarity 0.6318 NPC5145
Remote Similarity 0.6318 NPC11464
Remote Similarity 0.6318 NPC208060
Remote Similarity 0.6316 NPC134079
Remote Similarity 0.6316 NPC21638
Remote Similarity 0.6311 NPC473179
Remote Similarity 0.6311 NPC190007
Remote Similarity 0.6311 NPC204717
Remote Similarity 0.6311 NPC250178
Remote Similarity 0.6308 NPC26850
Remote Similarity 0.6306 NPC266931
Remote Similarity 0.6303 NPC226202
Remote Similarity 0.6303 NPC475190
Remote Similarity 0.6303 NPC106937
Remote Similarity 0.6301 NPC39679
Remote Similarity 0.63 NPC164664
Remote Similarity 0.63 NPC280272
Remote Similarity 0.6298 NPC74382
Remote Similarity 0.6298 NPC206251
Remote Similarity 0.6293 NPC474798
Remote Similarity 0.6291 NPC267928
Remote Similarity 0.6283 NPC150239
Remote Similarity 0.6283 NPC472099

Drug Structure

External Identifiers

TTD   DIB014176
DrugBank   DB04910
ChEMBL   CHEMBL1087630
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   92907
CAS Number  20559-55-1

Drug Properties

Molecular Weight  249.11
ALogP  -0.2281
MLogP  2.12
XLogP  2.955
HDA  5
HBD  2
Rotatable Bonds  8
TPSA  79.73
RO5 Violation  0