Drug Information

Drug ID:  NPD9655
Drug Name:  Azelaic Acid
Molecular Formula:  C9H16O4
Canonical SMILES:  OC(=O)CCCCCCCC(=O)O
Standard InCHI:  InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Standard InCHIKey:  BDJRBEYXGGNYIS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9655

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 NPC214610
High Similarity 1.0 NPC183424
High Similarity 1.0 NPC294085
High Similarity 1.0 NPC118968
High Similarity 0.9722 NPC268826
High Similarity 0.9459 NPC279026
High Similarity 0.9459 NPC113928
High Similarity 0.9459 NPC14227
High Similarity 0.9459 NPC301696
High Similarity 0.9459 NPC154186
High Similarity 0.9459 NPC201844
High Similarity 0.9459 NPC301585
High Similarity 0.9459 NPC261080
High Similarity 0.9167 NPC134782
High Similarity 0.8974 NPC209970
High Similarity 0.8974 NPC196924
High Similarity 0.8974 NPC216630
High Similarity 0.8974 NPC171736
High Similarity 0.8974 NPC149184
High Similarity 0.8974 NPC307783
High Similarity 0.875 NPC67462
High Similarity 0.8649 NPC155263
High Similarity 0.8537 NPC74845
High Similarity 0.8537 NPC255837
High Similarity 0.8537 NPC19305
Intermediate Similarity 0.8462 NPC219536
Intermediate Similarity 0.8462 NPC31551
Intermediate Similarity 0.8378 NPC156630
Intermediate Similarity 0.8333 NPC8219
Intermediate Similarity 0.8333 NPC328710
Intermediate Similarity 0.8333 NPC18224
Intermediate Similarity 0.8333 NPC55023
Intermediate Similarity 0.8205 NPC22903
Intermediate Similarity 0.8205 NPC201622
Intermediate Similarity 0.8205 NPC305660
Intermediate Similarity 0.8205 NPC54980
Intermediate Similarity 0.814 NPC30195
Intermediate Similarity 0.814 NPC314679
Intermediate Similarity 0.814 NPC12438
Intermediate Similarity 0.8049 NPC103286
Intermediate Similarity 0.8049 NPC53541
Intermediate Similarity 0.8049 NPC163746
Intermediate Similarity 0.8 NPC223249
Intermediate Similarity 0.7955 NPC328497
Intermediate Similarity 0.7955 NPC21844
Intermediate Similarity 0.7955 NPC324004
Intermediate Similarity 0.7857 NPC301528
Intermediate Similarity 0.7857 NPC129972
Intermediate Similarity 0.7857 NPC289686
Intermediate Similarity 0.7857 NPC71317
Intermediate Similarity 0.7838 NPC175342
Intermediate Similarity 0.7805 NPC149299
Intermediate Similarity 0.7805 NPC250028
Intermediate Similarity 0.7805 NPC40597
Intermediate Similarity 0.7805 NPC161097
Intermediate Similarity 0.7805 NPC12156
Intermediate Similarity 0.7805 NPC256163
Intermediate Similarity 0.7805 NPC28598
Intermediate Similarity 0.7805 NPC165533
Intermediate Similarity 0.7778 NPC180534
Intermediate Similarity 0.7778 NPC477878
Intermediate Similarity 0.7778 NPC324793
Intermediate Similarity 0.7778 NPC106872
Intermediate Similarity 0.7778 NPC200618
Intermediate Similarity 0.7778 NPC131770
Intermediate Similarity 0.775 NPC73245
Intermediate Similarity 0.7727 NPC166287
Intermediate Similarity 0.766 NPC100096
Intermediate Similarity 0.7619 NPC248763
Intermediate Similarity 0.7619 NPC325452
Intermediate Similarity 0.7609 NPC304162
Intermediate Similarity 0.7561 NPC80234
Intermediate Similarity 0.7447 NPC50457
Intermediate Similarity 0.7447 NPC90904
Intermediate Similarity 0.7442 NPC203531
Intermediate Similarity 0.7442 NPC236579
Intermediate Similarity 0.7436 NPC317203
Intermediate Similarity 0.7347 NPC72722
Intermediate Similarity 0.7317 NPC326532
Intermediate Similarity 0.7292 NPC470410
Intermediate Similarity 0.7292 NPC470412
Intermediate Similarity 0.7273 NPC317128
Intermediate Similarity 0.7273 NPC76051
Intermediate Similarity 0.7234 NPC476469
Intermediate Similarity 0.7234 NPC26253
Intermediate Similarity 0.72 NPC53463
Intermediate Similarity 0.72 NPC320588
Intermediate Similarity 0.72 NPC469937
Intermediate Similarity 0.72 NPC23155
Intermediate Similarity 0.7179 NPC57499
Intermediate Similarity 0.7143 NPC3531
Intermediate Similarity 0.7143 NPC18357
Intermediate Similarity 0.7143 NPC281245
Intermediate Similarity 0.7111 NPC47363
Intermediate Similarity 0.7111 NPC469781
Intermediate Similarity 0.7111 NPC287231
Intermediate Similarity 0.7073 NPC109026
Intermediate Similarity 0.7073 NPC252843
Intermediate Similarity 0.7073 NPC158179
Intermediate Similarity 0.7027 NPC174368
Intermediate Similarity 0.7 NPC139029
Intermediate Similarity 0.7 NPC36061
Intermediate Similarity 0.7 NPC1813
Intermediate Similarity 0.7 NPC294548
Remote Similarity 0.6957 NPC145045
Remote Similarity 0.6957 NPC63182
Remote Similarity 0.6957 NPC105329
Remote Similarity 0.6957 NPC52700
Remote Similarity 0.6923 NPC125575
Remote Similarity 0.6863 NPC424
Remote Similarity 0.6863 NPC25417
Remote Similarity 0.6863 NPC32467
Remote Similarity 0.6863 NPC154245
Remote Similarity 0.6863 NPC85813
Remote Similarity 0.6863 NPC6095
Remote Similarity 0.6863 NPC261831
Remote Similarity 0.6863 NPC87394
Remote Similarity 0.6863 NPC87564
Remote Similarity 0.6863 NPC290563
Remote Similarity 0.6863 NPC281972
Remote Similarity 0.6863 NPC88966
Remote Similarity 0.6829 NPC80396
Remote Similarity 0.6829 NPC80641
Remote Similarity 0.6829 NPC154642
Remote Similarity 0.6809 NPC326957
Remote Similarity 0.6744 NPC81263
Remote Similarity 0.6739 NPC273545
Remote Similarity 0.6735 NPC55678
Remote Similarity 0.6731 NPC54766
Remote Similarity 0.6667 NPC34416
Remote Similarity 0.6667 NPC321062
Remote Similarity 0.6667 NPC216130
Remote Similarity 0.6667 NPC70387
Remote Similarity 0.6604 NPC477201
Remote Similarity 0.6604 NPC18951
Remote Similarity 0.6604 NPC179764
Remote Similarity 0.6604 NPC187777
Remote Similarity 0.66 NPC287811
Remote Similarity 0.6585 NPC301398
Remote Similarity 0.6585 NPC196442
Remote Similarity 0.6585 NPC223374
Remote Similarity 0.6585 NPC86545
Remote Similarity 0.6545 NPC470363
Remote Similarity 0.6545 NPC475821
Remote Similarity 0.6545 NPC17935
Remote Similarity 0.6481 NPC225929
Remote Similarity 0.6471 NPC92114
Remote Similarity 0.6458 NPC249754
Remote Similarity 0.6429 NPC469921
Remote Similarity 0.6415 NPC274290
Remote Similarity 0.6415 NPC473863
Remote Similarity 0.641 NPC168982
Remote Similarity 0.64 NPC224227
Remote Similarity 0.64 NPC305182
Remote Similarity 0.6341 NPC127142
Remote Similarity 0.6341 NPC7814
Remote Similarity 0.6341 NPC286498
Remote Similarity 0.6341 NPC154396
Remote Similarity 0.6327 NPC207292
Remote Similarity 0.6316 NPC198118
Remote Similarity 0.6316 NPC38859
Remote Similarity 0.6316 NPC469923
Remote Similarity 0.6316 NPC40082
Remote Similarity 0.6304 NPC176500
Remote Similarity 0.6279 NPC206924
Remote Similarity 0.6279 NPC128996
Remote Similarity 0.6275 NPC262968
Remote Similarity 0.6275 NPC314084
Remote Similarity 0.625 NPC469924
Remote Similarity 0.625 NPC274927
Remote Similarity 0.625 NPC308301
Remote Similarity 0.625 NPC106851
Remote Similarity 0.6216 NPC149209
Remote Similarity 0.6207 NPC474552
Remote Similarity 0.62 NPC5413
Remote Similarity 0.62 NPC250919
Remote Similarity 0.62 NPC149821
Remote Similarity 0.619 NPC289344
Remote Similarity 0.617 NPC323974
Remote Similarity 0.6154 NPC196434
Remote Similarity 0.6154 NPC42403
Remote Similarity 0.6154 NPC79887
Remote Similarity 0.6154 NPC161366
Remote Similarity 0.6154 NPC310746
Remote Similarity 0.6154 NPC29561
Remote Similarity 0.6154 NPC153439
Remote Similarity 0.6154 NPC4962
Remote Similarity 0.6154 NPC221192
Remote Similarity 0.6154 NPC222997
Remote Similarity 0.614 NPC302188
Remote Similarity 0.614 NPC235242
Remote Similarity 0.614 NPC243532
Remote Similarity 0.614 NPC174447
Remote Similarity 0.614 NPC122521
Remote Similarity 0.614 NPC251042
Remote Similarity 0.6136 NPC325454
Remote Similarity 0.6102 NPC234767
Remote Similarity 0.6102 NPC314103
Remote Similarity 0.6102 NPC53642
Remote Similarity 0.6102 NPC470325

Drug Structure

External Identifiers

TTD   DAP000889
DrugBank   DB00548
ChEMBL   CHEMBL1238
IUPHAR/BPS   7484
PharmaGKB   PA164754850
KEGG Drug   D03034
PubChem CID   2266
ChEBI   48131
CAS Number  123-99-9

Drug Properties

Molecular Weight  188.10
ALogP  -1.85
MLogP  2.01
XLogP  1.713
HDA  4
HBD  2
Rotatable Bonds  10
TPSA  74.6
RO5 Violation  0