Drug Information

Drug ID:  NPD3195
Drug Name:  Oleic Acid
Molecular Formula:  C18H34O2
Canonical SMILES:  CCCCCCCC/C=CCCCCCCCC(=O)O
Standard InCHI:  InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
Standard InCHIKey:  ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3195

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 NPC261831
High Similarity 1.0 NPC88966
High Similarity 1.0 NPC25417
High Similarity 1.0 NPC154245
High Similarity 1.0 NPC32467
High Similarity 1.0 NPC6095
High Similarity 1.0 NPC424
High Similarity 1.0 NPC290563
High Similarity 1.0 NPC85813
High Similarity 1.0 NPC87564
High Similarity 1.0 NPC281972
High Similarity 0.98 NPC139029
High Similarity 0.98 NPC70387
High Similarity 0.98 NPC321062
High Similarity 0.98 NPC294548
High Similarity 0.98 NPC1813
High Similarity 0.98 NPC36061
High Similarity 0.9615 NPC477201
High Similarity 0.9615 NPC18951
High Similarity 0.96 NPC281245
High Similarity 0.96 NPC92114
High Similarity 0.94 NPC262968
High Similarity 0.9245 NPC179764
High Similarity 0.9245 NPC187777
High Similarity 0.92 NPC224227
High Similarity 0.92 NPC59051
High Similarity 0.9091 NPC274927
High Similarity 0.9091 NPC106851
High Similarity 0.9074 NPC225929
High Similarity 0.9057 NPC274290
High Similarity 0.9057 NPC54766
High Similarity 0.9057 NPC473863
High Similarity 0.9038 NPC39633
High Similarity 0.9038 NPC139545
High Similarity 0.9038 NPC309606
High Similarity 0.9 NPC5413
High Similarity 0.9 NPC149821
High Similarity 0.8929 NPC243532
High Similarity 0.88 NPC207292
High Similarity 0.88 NPC180534
High Similarity 0.88 NPC91495
High Similarity 0.8772 NPC201939
High Similarity 0.8704 NPC28779
High Similarity 0.8704 NPC10316
High Similarity 0.8704 NPC128061
High Similarity 0.8704 NPC228473
High Similarity 0.8704 NPC200845
High Similarity 0.8704 NPC223677
High Similarity 0.8596 NPC122521
High Similarity 0.8596 NPC174447
High Similarity 0.8596 NPC251042
High Similarity 0.8596 NPC235242
High Similarity 0.8519 NPC87394
Intermediate Similarity 0.8491 NPC18357
Intermediate Similarity 0.8475 NPC328089
Intermediate Similarity 0.8475 NPC68343
Intermediate Similarity 0.8448 NPC125312
Intermediate Similarity 0.8448 NPC40082
Intermediate Similarity 0.8448 NPC174560
Intermediate Similarity 0.84 NPC117572
Intermediate Similarity 0.8333 NPC326268
Intermediate Similarity 0.8333 NPC318420
Intermediate Similarity 0.8333 NPC71761
Intermediate Similarity 0.8333 NPC255863
Intermediate Similarity 0.8333 NPC245947
Intermediate Similarity 0.8333 NPC136164
Intermediate Similarity 0.8302 NPC470412
Intermediate Similarity 0.8302 NPC284212
Intermediate Similarity 0.8302 NPC470410
Intermediate Similarity 0.8302 NPC28205
Intermediate Similarity 0.8246 NPC34416
Intermediate Similarity 0.8246 NPC267817
Intermediate Similarity 0.8167 NPC470320
Intermediate Similarity 0.8136 NPC328776
Intermediate Similarity 0.8136 NPC321838
Intermediate Similarity 0.8136 NPC320305
Intermediate Similarity 0.8077 NPC216130
Intermediate Similarity 0.8065 NPC271921
Intermediate Similarity 0.8065 NPC148192
Intermediate Similarity 0.8065 NPC99619
Intermediate Similarity 0.8065 NPC22101
Intermediate Similarity 0.8065 NPC127091
Intermediate Similarity 0.8065 NPC104537
Intermediate Similarity 0.8065 NPC26500
Intermediate Similarity 0.8065 NPC330426
Intermediate Similarity 0.8036 NPC52264
Intermediate Similarity 0.8 NPC270796
Intermediate Similarity 0.7966 NPC143857
Intermediate Similarity 0.7966 NPC229252
Intermediate Similarity 0.7963 NPC48162
Intermediate Similarity 0.7937 NPC48218
Intermediate Similarity 0.7937 NPC473559
Intermediate Similarity 0.7937 NPC324981
Intermediate Similarity 0.7937 NPC141481
Intermediate Similarity 0.7895 NPC325977
Intermediate Similarity 0.7869 NPC226592
Intermediate Similarity 0.7857 NPC137538
Intermediate Similarity 0.7818 NPC161366
Intermediate Similarity 0.7812 NPC317583
Intermediate Similarity 0.7778 NPC473829
Intermediate Similarity 0.7778 NPC475443
Intermediate Similarity 0.7719 NPC45626
Intermediate Similarity 0.7705 NPC54925
Intermediate Similarity 0.7705 NPC477707
Intermediate Similarity 0.7692 NPC476660
Intermediate Similarity 0.7692 NPC42526
Intermediate Similarity 0.7667 NPC328311
Intermediate Similarity 0.7667 NPC327112
Intermediate Similarity 0.7656 NPC476614
Intermediate Similarity 0.7636 NPC477458
Intermediate Similarity 0.7627 NPC329819
Intermediate Similarity 0.76 NPC209970
Intermediate Similarity 0.76 NPC196924
Intermediate Similarity 0.76 NPC307783
Intermediate Similarity 0.76 NPC216630
Intermediate Similarity 0.76 NPC149184
Intermediate Similarity 0.76 NPC171736
Intermediate Similarity 0.7593 NPC207815
Intermediate Similarity 0.7581 NPC234767
Intermediate Similarity 0.7547 NPC42304
Intermediate Similarity 0.7544 NPC322461
Intermediate Similarity 0.7541 NPC477829
Intermediate Similarity 0.7538 NPC143396
Intermediate Similarity 0.7538 NPC473772
Intermediate Similarity 0.75 NPC129458
Intermediate Similarity 0.75 NPC329550
Intermediate Similarity 0.75 NPC60120
Intermediate Similarity 0.7458 NPC323436
Intermediate Similarity 0.7458 NPC211752
Intermediate Similarity 0.7458 NPC323498
Intermediate Similarity 0.7458 NPC323597
Intermediate Similarity 0.7451 NPC67462
Intermediate Similarity 0.7385 NPC53302
Intermediate Similarity 0.7368 NPC10081
Intermediate Similarity 0.7368 NPC225066
Intermediate Similarity 0.7358 NPC76976
Intermediate Similarity 0.7353 NPC227396
Intermediate Similarity 0.7353 NPC474321
Intermediate Similarity 0.7344 NPC142423
Intermediate Similarity 0.7344 NPC308294
Intermediate Similarity 0.7313 NPC160817
Intermediate Similarity 0.7313 NPC318814
Intermediate Similarity 0.7313 NPC320669
Intermediate Similarity 0.7308 NPC74845
Intermediate Similarity 0.7288 NPC327388
Intermediate Similarity 0.7273 NPC163345
Intermediate Similarity 0.7246 NPC476844
Intermediate Similarity 0.7222 NPC110234
Intermediate Similarity 0.7222 NPC44363
Intermediate Similarity 0.7222 NPC163751
Intermediate Similarity 0.7213 NPC329249
Intermediate Similarity 0.7206 NPC325627
Intermediate Similarity 0.72 NPC301696
Intermediate Similarity 0.72 NPC201844
Intermediate Similarity 0.72 NPC279026
Intermediate Similarity 0.72 NPC301585
Intermediate Similarity 0.72 NPC261080
Intermediate Similarity 0.72 NPC113928
Intermediate Similarity 0.72 NPC154186
Intermediate Similarity 0.72 NPC14227
Intermediate Similarity 0.7193 NPC303765
Intermediate Similarity 0.7193 NPC310746
Intermediate Similarity 0.7188 NPC320642
Intermediate Similarity 0.7188 NPC476657
Intermediate Similarity 0.7188 NPC476654
Intermediate Similarity 0.7188 NPC476655
Intermediate Similarity 0.7188 NPC317881
Intermediate Similarity 0.7188 NPC323045
Intermediate Similarity 0.717 NPC8219
Intermediate Similarity 0.7143 NPC477830
Intermediate Similarity 0.7143 NPC279537
Intermediate Similarity 0.7143 NPC469514
Intermediate Similarity 0.7143 NPC316674
Intermediate Similarity 0.7119 NPC477984
Intermediate Similarity 0.7119 NPC474672
Intermediate Similarity 0.7101 NPC283908
Intermediate Similarity 0.7101 NPC251970
Intermediate Similarity 0.7101 NPC241854
Intermediate Similarity 0.7101 NPC183503
Intermediate Similarity 0.7101 NPC161923
Intermediate Similarity 0.7101 NPC55527
Intermediate Similarity 0.7101 NPC3753
Intermediate Similarity 0.7101 NPC237591
Intermediate Similarity 0.7101 NPC103958
Intermediate Similarity 0.7101 NPC476046
Intermediate Similarity 0.7097 NPC321919
Intermediate Similarity 0.7097 NPC81896
Intermediate Similarity 0.7097 NPC45097
Intermediate Similarity 0.7077 NPC476656
Intermediate Similarity 0.7077 NPC476659
Intermediate Similarity 0.7059 NPC288667
Intermediate Similarity 0.7059 NPC320119
Intermediate Similarity 0.7049 NPC469373
Intermediate Similarity 0.7042 NPC240170
Intermediate Similarity 0.7042 NPC120776
Intermediate Similarity 0.7042 NPC281296
Intermediate Similarity 0.7037 NPC239754
Intermediate Similarity 0.7037 NPC30195
Intermediate Similarity 0.7037 NPC12438
Intermediate Similarity 0.7031 NPC7029

Drug Structure

External Identifiers

TTD   DNAP001471
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5282489
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  282.26
ALogP  -2.3427
MLogP  3.22
XLogP  8.192
HDA  2
HBD  1
Rotatable Bonds  17
TPSA  37.3
RO5 Violation  2