Drug Information

Drug ID:  NPD664
Drug Name:  Naftazone
Molecular Formula:  C11H9N3O2
Canonical SMILES:  OC(=N)N/N=C/1C=Cc2c(C1=O)cccc2
Standard InCHI:  InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)/b13-9+
Standard InCHIKey:  TZGBBMBARSFJBG-UKTHLTGXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD664

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 0.7451 NPC215008
Intermediate Similarity 0.7333 NPC43945
Intermediate Similarity 0.7264 NPC157778
Intermediate Similarity 0.713 NPC173413
Intermediate Similarity 0.7064 NPC284475
Intermediate Similarity 0.7064 NPC133461
Intermediate Similarity 0.7059 NPC300205
Intermediate Similarity 0.7037 NPC418308
Intermediate Similarity 0.703 NPC245966
Intermediate Similarity 0.7 NPC155232
Intermediate Similarity 0.7 NPC1682
Intermediate Similarity 0.7 NPC153885
Intermediate Similarity 0.7 NPC188844
Remote Similarity 0.699 NPC71664
Remote Similarity 0.699 NPC164086
Remote Similarity 0.6972 NPC19256
Remote Similarity 0.6961 NPC285470
Remote Similarity 0.6961 NPC36342
Remote Similarity 0.6961 NPC2785
Remote Similarity 0.6952 NPC273758
Remote Similarity 0.6944 NPC267262
Remote Similarity 0.6937 NPC238219
Remote Similarity 0.6937 NPC246757
Remote Similarity 0.6937 NPC291070
Remote Similarity 0.6923 NPC273033
Remote Similarity 0.6923 NPC12936
Remote Similarity 0.6916 NPC160339
Remote Similarity 0.6916 NPC307
Remote Similarity 0.6903 NPC156021
Remote Similarity 0.6881 NPC113307
Remote Similarity 0.6875 NPC260233
Remote Similarity 0.6847 NPC59677
Remote Similarity 0.6827 NPC190567
Remote Similarity 0.6818 NPC277277
Remote Similarity 0.681 NPC244427
Remote Similarity 0.681 NPC222390
Remote Similarity 0.6792 NPC39600
Remote Similarity 0.6786 NPC289883
Remote Similarity 0.6762 NPC145053
Remote Similarity 0.6762 NPC73978
Remote Similarity 0.6754 NPC239185
Remote Similarity 0.6752 NPC274443
Remote Similarity 0.6752 NPC247976
Remote Similarity 0.6742 NPC313722
Remote Similarity 0.6726 NPC472880
Remote Similarity 0.6697 NPC69057
Remote Similarity 0.6696 NPC323164
Remote Similarity 0.6696 NPC75724
Remote Similarity 0.6696 NPC134882
Remote Similarity 0.6696 NPC49994
Remote Similarity 0.6695 NPC329282
Remote Similarity 0.6639 NPC134120
Remote Similarity 0.6639 NPC172483
Remote Similarity 0.6609 NPC240042
Remote Similarity 0.6609 NPC265220
Remote Similarity 0.6583 NPC100767
Remote Similarity 0.6581 NPC109514
Remote Similarity 0.6581 NPC476993
Remote Similarity 0.6581 NPC112552
Remote Similarity 0.6577 NPC325709
Remote Similarity 0.6571 NPC139901
Remote Similarity 0.6571 NPC151405
Remote Similarity 0.6549 NPC323420
Remote Similarity 0.6522 NPC219573
Remote Similarity 0.6522 NPC185208
Remote Similarity 0.6514 NPC123476
Remote Similarity 0.6509 NPC95868
Remote Similarity 0.6486 NPC477704
Remote Similarity 0.6486 NPC153308
Remote Similarity 0.6486 NPC477693
Remote Similarity 0.6481 NPC324624
Remote Similarity 0.6471 NPC285679
Remote Similarity 0.646 NPC110704
Remote Similarity 0.646 NPC103346
Remote Similarity 0.6441 NPC472879
Remote Similarity 0.641 NPC229242
Remote Similarity 0.6396 NPC194326
Remote Similarity 0.6393 NPC211439
Remote Similarity 0.6387 NPC320891
Remote Similarity 0.6385 NPC27833
Remote Similarity 0.6373 NPC74458
Remote Similarity 0.6372 NPC110420
Remote Similarity 0.6372 NPC303967
Remote Similarity 0.6372 NPC67585
Remote Similarity 0.6371 NPC474057
Remote Similarity 0.6364 NPC474910
Remote Similarity 0.6364 NPC167336
Remote Similarity 0.6364 NPC252067
Remote Similarity 0.6355 NPC285716
Remote Similarity 0.6355 NPC17408
Remote Similarity 0.6348 NPC34243
Remote Similarity 0.6333 NPC255676
Remote Similarity 0.6333 NPC202613
Remote Similarity 0.6333 NPC164859
Remote Similarity 0.6333 NPC329556
Remote Similarity 0.633 NPC197581
Remote Similarity 0.6325 NPC472788
Remote Similarity 0.632 NPC292834
Remote Similarity 0.632 NPC186128
Remote Similarity 0.632 NPC275410
Remote Similarity 0.6306 NPC164526
Remote Similarity 0.6296 NPC100039
Remote Similarity 0.6286 NPC78500
Remote Similarity 0.6271 NPC329387
Remote Similarity 0.6271 NPC317280
Remote Similarity 0.627 NPC470253
Remote Similarity 0.6262 NPC272260
Remote Similarity 0.626 NPC470391
Remote Similarity 0.626 NPC172170
Remote Similarity 0.626 NPC203732
Remote Similarity 0.625 NPC284477
Remote Similarity 0.624 NPC265513
Remote Similarity 0.624 NPC319579
Remote Similarity 0.6226 NPC9796
Remote Similarity 0.6226 NPC179726
Remote Similarity 0.6216 NPC95965
Remote Similarity 0.621 NPC470252
Remote Similarity 0.621 NPC192577
Remote Similarity 0.6204 NPC192623
Remote Similarity 0.6204 NPC472245
Remote Similarity 0.6204 NPC477703
Remote Similarity 0.6198 NPC474866
Remote Similarity 0.6198 NPC471829
Remote Similarity 0.6198 NPC475939
Remote Similarity 0.6198 NPC471317
Remote Similarity 0.6198 NPC472691
Remote Similarity 0.6195 NPC473345
Remote Similarity 0.6194 NPC192533
Remote Similarity 0.619 NPC218855
Remote Similarity 0.6179 NPC473498
Remote Similarity 0.6176 NPC98880
Remote Similarity 0.6174 NPC476484
Remote Similarity 0.6172 NPC217111
Remote Similarity 0.6168 NPC103488
Remote Similarity 0.6168 NPC137847
Remote Similarity 0.6168 NPC76455
Remote Similarity 0.6167 NPC282895
Remote Similarity 0.6148 NPC114594
Remote Similarity 0.6148 NPC249067
Remote Similarity 0.6142 NPC143768
Remote Similarity 0.6142 NPC93287
Remote Similarity 0.6142 NPC471481
Remote Similarity 0.6117 NPC95289
Remote Similarity 0.6116 NPC25458
Remote Similarity 0.6111 NPC291799
Remote Similarity 0.6111 NPC137315
Remote Similarity 0.6102 NPC12695
Remote Similarity 0.6098 NPC209632
Remote Similarity 0.6095 NPC208075
Remote Similarity 0.6094 NPC471721
Remote Similarity 0.6094 NPC130591
Remote Similarity 0.6094 NPC234637
Remote Similarity 0.6094 NPC196673
Remote Similarity 0.6087 NPC58872
Remote Similarity 0.6084 NPC181527
Remote Similarity 0.6083 NPC12730
Remote Similarity 0.608 NPC318327
Remote Similarity 0.6078 NPC311343
Remote Similarity 0.6077 NPC469843
Remote Similarity 0.6075 NPC329318
Remote Similarity 0.6063 NPC329011
Remote Similarity 0.6063 NPC212415
Remote Similarity 0.6055 NPC127343
Remote Similarity 0.605 NPC293628
Remote Similarity 0.605 NPC122493
Remote Similarity 0.605 NPC10781
Remote Similarity 0.605 NPC324569
Remote Similarity 0.605 NPC289201
Remote Similarity 0.6048 NPC37914
Remote Similarity 0.6048 NPC327481
Remote Similarity 0.6048 NPC185763
Remote Similarity 0.6048 NPC83409
Remote Similarity 0.6048 NPC472700
Remote Similarity 0.6048 NPC472699
Remote Similarity 0.6048 NPC45033
Remote Similarity 0.6047 NPC215419
Remote Similarity 0.6036 NPC285773
Remote Similarity 0.6036 NPC149263
Remote Similarity 0.6017 NPC172925
Remote Similarity 0.6017 NPC256452
Remote Similarity 0.6016 NPC272524
Remote Similarity 0.6016 NPC474584
Remote Similarity 0.6016 NPC231717
Remote Similarity 0.6014 NPC150863
Remote Similarity 0.6 NPC472683
Remote Similarity 0.6 NPC145052
Remote Similarity 0.6 NPC112903
Remote Similarity 0.6 NPC271437
Remote Similarity 0.6 NPC141523
Remote Similarity 0.6 NPC472701
Remote Similarity 0.6 NPC55529
Remote Similarity 0.6 NPC472695
Remote Similarity 0.6 NPC472696
Remote Similarity 0.6 NPC298115
Remote Similarity 0.5985 NPC318173
Remote Similarity 0.5984 NPC304873
Remote Similarity 0.5984 NPC210089
Remote Similarity 0.5983 NPC77273
Remote Similarity 0.5971 NPC314431
Remote Similarity 0.5971 NPC280807

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  215.07
ALogP  -0.0828
MLogP  2.12
XLogP  4.076
HDA  5
HBD  3
Rotatable Bonds  3
TPSA  85.54
RO5 Violation  0