Drug Information

Drug ID:  NPD915
Drug Name:  Triclosan
Molecular Formula:  C12H7Cl3O2
Canonical SMILES:  Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl
Standard InCHI:  InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
Standard InCHIKey:  XEFQLINVKFYRCS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD915

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 1.0 NPC205213
Intermediate Similarity 0.813 NPC204617
Intermediate Similarity 0.811 NPC235370
Intermediate Similarity 0.776 NPC161768
Intermediate Similarity 0.774 NPC56379
Intermediate Similarity 0.7672 NPC314803
Intermediate Similarity 0.7611 NPC322888
Intermediate Similarity 0.7444 NPC8058
Intermediate Similarity 0.7429 NPC72636
Intermediate Similarity 0.7429 NPC258837
Intermediate Similarity 0.7429 NPC45134
Intermediate Similarity 0.7407 NPC246991
Intermediate Similarity 0.7328 NPC114325
Intermediate Similarity 0.7304 NPC174048
Intermediate Similarity 0.7246 NPC139335
Intermediate Similarity 0.7174 NPC193334
Intermediate Similarity 0.7077 NPC86947
Intermediate Similarity 0.7023 NPC191194
Remote Similarity 0.6991 NPC38459
Remote Similarity 0.6991 NPC33756
Remote Similarity 0.697 NPC44270
Remote Similarity 0.697 NPC86007
Remote Similarity 0.696 NPC175931
Remote Similarity 0.6947 NPC151617
Remote Similarity 0.6947 NPC76915
Remote Similarity 0.6935 NPC307875
Remote Similarity 0.6923 NPC318429
Remote Similarity 0.6894 NPC104124
Remote Similarity 0.6875 NPC475423
Remote Similarity 0.6866 NPC196371
Remote Similarity 0.6866 NPC47769
Remote Similarity 0.6866 NPC153580
Remote Similarity 0.6866 NPC299939
Remote Similarity 0.6866 NPC226737
Remote Similarity 0.6842 NPC125306
Remote Similarity 0.6842 NPC214289
Remote Similarity 0.6818 NPC9248
Remote Similarity 0.6815 NPC127389
Remote Similarity 0.6815 NPC290451
Remote Similarity 0.681 NPC206876
Remote Similarity 0.6803 NPC182475
Remote Similarity 0.6794 NPC244403
Remote Similarity 0.6791 NPC41232
Remote Similarity 0.6791 NPC63317
Remote Similarity 0.6788 NPC33402
Remote Similarity 0.6765 NPC175520
Remote Similarity 0.6765 NPC159866
Remote Similarity 0.6765 NPC97157
Remote Similarity 0.6765 NPC25134
Remote Similarity 0.6765 NPC295879
Remote Similarity 0.6765 NPC64130
Remote Similarity 0.6741 NPC205850
Remote Similarity 0.6741 NPC170824
Remote Similarity 0.6719 NPC7097
Remote Similarity 0.6719 NPC36108
Remote Similarity 0.6719 NPC233731
Remote Similarity 0.6719 NPC246358
Remote Similarity 0.6693 NPC124712
Remote Similarity 0.6692 NPC293619
Remote Similarity 0.6691 NPC88733
Remote Similarity 0.6691 NPC474375
Remote Similarity 0.6691 NPC42644
Remote Similarity 0.6691 NPC137922
Remote Similarity 0.6691 NPC145780
Remote Similarity 0.6691 NPC173511
Remote Similarity 0.6691 NPC40302
Remote Similarity 0.6667 NPC228972
Remote Similarity 0.6667 NPC74478
Remote Similarity 0.6667 NPC122792
Remote Similarity 0.6642 NPC105147
Remote Similarity 0.6642 NPC228875
Remote Similarity 0.6642 NPC470626
Remote Similarity 0.6642 NPC126216
Remote Similarity 0.6642 NPC15350
Remote Similarity 0.6641 NPC91452
Remote Similarity 0.6637 NPC204932
Remote Similarity 0.6619 NPC194519
Remote Similarity 0.6619 NPC3221
Remote Similarity 0.6619 NPC87113
Remote Similarity 0.6618 NPC307253
Remote Similarity 0.6615 NPC156840
Remote Similarity 0.6615 NPC8547
Remote Similarity 0.6615 NPC173746
Remote Similarity 0.6615 NPC139617
Remote Similarity 0.6615 NPC195873
Remote Similarity 0.6615 NPC257124
Remote Similarity 0.6615 NPC78918
Remote Similarity 0.6614 NPC41594
Remote Similarity 0.6599 NPC86087
Remote Similarity 0.6594 NPC197576
Remote Similarity 0.6594 NPC68350
Remote Similarity 0.6594 NPC81149
Remote Similarity 0.6594 NPC230013
Remote Similarity 0.6594 NPC131940
Remote Similarity 0.6593 NPC281298
Remote Similarity 0.6593 NPC310338
Remote Similarity 0.6571 NPC134431
Remote Similarity 0.6571 NPC304630
Remote Similarity 0.6571 NPC191037
Remote Similarity 0.6571 NPC178284
Remote Similarity 0.6571 NPC156854
Remote Similarity 0.6571 NPC58607
Remote Similarity 0.6571 NPC17837
Remote Similarity 0.6547 NPC48990
Remote Similarity 0.6547 NPC114901
Remote Similarity 0.6547 NPC293701
Remote Similarity 0.6544 NPC247364
Remote Similarity 0.6544 NPC227217
Remote Similarity 0.6544 NPC56214
Remote Similarity 0.6544 NPC61516
Remote Similarity 0.6544 NPC117780
Remote Similarity 0.6544 NPC232316
Remote Similarity 0.6544 NPC10932
Remote Similarity 0.6544 NPC232084
Remote Similarity 0.6544 NPC95614
Remote Similarity 0.6544 NPC165133
Remote Similarity 0.6544 NPC242885
Remote Similarity 0.6532 NPC307039
Remote Similarity 0.6532 NPC132725
Remote Similarity 0.6525 NPC111247
Remote Similarity 0.6525 NPC50368
Remote Similarity 0.6525 NPC183181
Remote Similarity 0.6525 NPC470699
Remote Similarity 0.6525 NPC41706
Remote Similarity 0.6525 NPC319625
Remote Similarity 0.6525 NPC210355
Remote Similarity 0.6525 NPC147821
Remote Similarity 0.6525 NPC292056
Remote Similarity 0.6525 NPC163332
Remote Similarity 0.6525 NPC118787
Remote Similarity 0.6522 NPC151237
Remote Similarity 0.6522 NPC27198
Remote Similarity 0.6512 NPC146096
Remote Similarity 0.6496 NPC207613
Remote Similarity 0.6496 NPC109083
Remote Similarity 0.6496 NPC189844
Remote Similarity 0.6496 NPC14007
Remote Similarity 0.6496 NPC60962
Remote Similarity 0.6496 NPC224814
Remote Similarity 0.6496 NPC269843
Remote Similarity 0.6489 NPC55300
Remote Similarity 0.6484 NPC232654
Remote Similarity 0.6479 NPC72529
Remote Similarity 0.6479 NPC226661
Remote Similarity 0.6475 NPC31344
Remote Similarity 0.6475 NPC317769
Remote Similarity 0.6471 NPC157213
Remote Similarity 0.6454 NPC45728
Remote Similarity 0.6454 NPC110677
Remote Similarity 0.6454 NPC181361
Remote Similarity 0.6449 NPC54872
Remote Similarity 0.6449 NPC473853
Remote Similarity 0.6449 NPC113865
Remote Similarity 0.6449 NPC324571
Remote Similarity 0.6449 NPC38996
Remote Similarity 0.6449 NPC262156
Remote Similarity 0.6449 NPC470212
Remote Similarity 0.6449 NPC184651
Remote Similarity 0.6449 NPC160380
Remote Similarity 0.6449 NPC343720
Remote Similarity 0.6449 NPC312675
Remote Similarity 0.6443 NPC252901
Remote Similarity 0.6439 NPC165646
Remote Similarity 0.6434 NPC210655
Remote Similarity 0.6434 NPC241354
Remote Similarity 0.6434 NPC86030
Remote Similarity 0.6434 NPC5851
Remote Similarity 0.6429 NPC109822
Remote Similarity 0.6429 NPC246704
Remote Similarity 0.6429 NPC94276
Remote Similarity 0.6429 NPC221090
Remote Similarity 0.6423 NPC67791
Remote Similarity 0.6423 NPC2058
Remote Similarity 0.6417 NPC63479
Remote Similarity 0.6414 NPC76453
Remote Similarity 0.6408 NPC216836
Remote Similarity 0.6403 NPC71090
Remote Similarity 0.6403 NPC41562
Remote Similarity 0.6403 NPC473411
Remote Similarity 0.6403 NPC71579
Remote Similarity 0.6403 NPC85488
Remote Similarity 0.6403 NPC262253
Remote Similarity 0.6397 NPC228907
Remote Similarity 0.6389 NPC178301
Remote Similarity 0.6389 NPC91291
Remote Similarity 0.6389 NPC472338
Remote Similarity 0.6383 NPC289459
Remote Similarity 0.637 NPC221049
Remote Similarity 0.6364 NPC266932
Remote Similarity 0.6364 NPC226331
Remote Similarity 0.6364 NPC46274
Remote Similarity 0.6357 NPC95168
Remote Similarity 0.6357 NPC18984
Remote Similarity 0.6357 NPC121115
Remote Similarity 0.6357 NPC192810
Remote Similarity 0.6357 NPC228922
Remote Similarity 0.6357 NPC197757
Remote Similarity 0.6357 NPC160900
Remote Similarity 0.6357 NPC106659
Remote Similarity 0.6357 NPC280704

Drug Structure

External Identifiers

TTD   DAP001435
DrugBank   DB08604
ChEMBL   CHEMBL849
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D06226
PubChem CID   5564
ChEBI   164200
CAS Number  3380-34-5

Drug Properties

Molecular Weight  287.95
ALogP  1.6185
MLogP  2.23
XLogP  4.009
HDA  0
HBD  1
Rotatable Bonds  6
TPSA  29.46
RO5 Violation  0