Drug Information

Drug ID:  NPD29
Drug Name:  Zinc Oleate
Molecular Formula:  2C18H34O2.Zn
Canonical SMILES:  CCCCCCCC/C=CCCCCCCCC(=O)[O-].CCCCCCCC/C=CCCCCCCCC(=O)[O-].[Zn+2]
Standard InCHI:  InChI=1S/2C18H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
Standard InCHIKey:  LPEBYPDZMWMCLZ-CVBJKYQLSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD29

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 NPC262968
High Similarity 0.9787 NPC224227
High Similarity 0.9592 NPC139545
High Similarity 0.9592 NPC39633
High Similarity 0.9592 NPC309606
High Similarity 0.94 NPC6095
High Similarity 0.94 NPC88966
High Similarity 0.94 NPC154245
High Similarity 0.94 NPC290563
High Similarity 0.94 NPC261831
High Similarity 0.94 NPC85813
High Similarity 0.94 NPC25417
High Similarity 0.94 NPC32467
High Similarity 0.94 NPC281972
High Similarity 0.94 NPC87564
High Similarity 0.94 NPC424
High Similarity 0.9216 NPC228473
High Similarity 0.9216 NPC200845
High Similarity 0.9216 NPC10316
High Similarity 0.9216 NPC128061
High Similarity 0.9216 NPC223677
High Similarity 0.9216 NPC28779
High Similarity 0.92 NPC294548
High Similarity 0.92 NPC139029
High Similarity 0.92 NPC36061
High Similarity 0.92 NPC321062
High Similarity 0.92 NPC70387
High Similarity 0.92 NPC1813
High Similarity 0.9038 NPC18951
High Similarity 0.9038 NPC477201
High Similarity 0.9 NPC281245
High Similarity 0.9 NPC92114
High Similarity 0.8824 NPC71761
High Similarity 0.8679 NPC187777
High Similarity 0.8679 NPC179764
High Similarity 0.86 NPC59051
High Similarity 0.8571 NPC216130
High Similarity 0.8545 NPC274927
High Similarity 0.8545 NPC106851
High Similarity 0.8519 NPC225929
Intermediate Similarity 0.8491 NPC54766
Intermediate Similarity 0.8491 NPC274290
Intermediate Similarity 0.8491 NPC473863
Intermediate Similarity 0.84 NPC5413
Intermediate Similarity 0.84 NPC149821
Intermediate Similarity 0.8393 NPC243532
Intermediate Similarity 0.8393 NPC229252
Intermediate Similarity 0.8393 NPC143857
Intermediate Similarity 0.8269 NPC161366
Intermediate Similarity 0.8246 NPC201939
Intermediate Similarity 0.82 NPC180534
Intermediate Similarity 0.82 NPC91495
Intermediate Similarity 0.82 NPC207292
Intermediate Similarity 0.8103 NPC54925
Intermediate Similarity 0.807 NPC174447
Intermediate Similarity 0.807 NPC251042
Intermediate Similarity 0.807 NPC122521
Intermediate Similarity 0.807 NPC235242
Intermediate Similarity 0.8039 NPC207815
Intermediate Similarity 0.7966 NPC328089
Intermediate Similarity 0.7966 NPC68343
Intermediate Similarity 0.7963 NPC87394
Intermediate Similarity 0.7931 NPC40082
Intermediate Similarity 0.7931 NPC125312
Intermediate Similarity 0.7931 NPC174560
Intermediate Similarity 0.7925 NPC18357
Intermediate Similarity 0.7833 NPC245947
Intermediate Similarity 0.7833 NPC318420
Intermediate Similarity 0.7833 NPC136164
Intermediate Similarity 0.7833 NPC326268
Intermediate Similarity 0.7833 NPC255863
Intermediate Similarity 0.78 NPC117572
Intermediate Similarity 0.7736 NPC28205
Intermediate Similarity 0.7736 NPC284212
Intermediate Similarity 0.7736 NPC470412
Intermediate Similarity 0.7736 NPC470410
Intermediate Similarity 0.7719 NPC34416
Intermediate Similarity 0.7719 NPC267817
Intermediate Similarity 0.7692 NPC163345
Intermediate Similarity 0.7667 NPC470320
Intermediate Similarity 0.7647 NPC110234
Intermediate Similarity 0.7647 NPC163751
Intermediate Similarity 0.7647 NPC44363
Intermediate Similarity 0.7627 NPC321838
Intermediate Similarity 0.7627 NPC320305
Intermediate Similarity 0.7627 NPC328776
Intermediate Similarity 0.7593 NPC310746
Intermediate Similarity 0.7581 NPC99619
Intermediate Similarity 0.7581 NPC22101
Intermediate Similarity 0.7581 NPC473829
Intermediate Similarity 0.7581 NPC475443
Intermediate Similarity 0.7581 NPC330426
Intermediate Similarity 0.7581 NPC148192
Intermediate Similarity 0.7581 NPC271921
Intermediate Similarity 0.7581 NPC104537
Intermediate Similarity 0.7581 NPC127091
Intermediate Similarity 0.7581 NPC26500
Intermediate Similarity 0.75 NPC474672
Intermediate Similarity 0.75 NPC52264
Intermediate Similarity 0.75 NPC477984
Intermediate Similarity 0.746 NPC48218
Intermediate Similarity 0.746 NPC324981
Intermediate Similarity 0.746 NPC141481
Intermediate Similarity 0.746 NPC473559
Intermediate Similarity 0.7458 NPC45097
Intermediate Similarity 0.7451 NPC239754
Intermediate Similarity 0.7407 NPC477458
Intermediate Similarity 0.7407 NPC48162
Intermediate Similarity 0.74 NPC270796
Intermediate Similarity 0.7377 NPC226592
Intermediate Similarity 0.7368 NPC325977
Intermediate Similarity 0.7344 NPC473772
Intermediate Similarity 0.7344 NPC317583
Intermediate Similarity 0.7321 NPC137538
Intermediate Similarity 0.7273 NPC216407
Intermediate Similarity 0.7231 NPC42526
Intermediate Similarity 0.7231 NPC476660
Intermediate Similarity 0.7213 NPC477707
Intermediate Similarity 0.7193 NPC45626
Intermediate Similarity 0.7188 NPC218477
Intermediate Similarity 0.7188 NPC476614
Intermediate Similarity 0.7167 NPC328311
Intermediate Similarity 0.7167 NPC327112
Intermediate Similarity 0.7143 NPC126899
Intermediate Similarity 0.7143 NPC154728
Intermediate Similarity 0.7143 NPC12156
Intermediate Similarity 0.7143 NPC304665
Intermediate Similarity 0.7143 NPC161097
Intermediate Similarity 0.7143 NPC28598
Intermediate Similarity 0.7119 NPC329819
Intermediate Similarity 0.7097 NPC234767
Intermediate Similarity 0.7077 NPC143396
Intermediate Similarity 0.7049 NPC477829
Intermediate Similarity 0.7037 NPC250919
Intermediate Similarity 0.7037 NPC98284
Intermediate Similarity 0.7031 NPC60120
Intermediate Similarity 0.7018 NPC322461
Intermediate Similarity 0.7015 NPC474705
Intermediate Similarity 0.7015 NPC167145
Intermediate Similarity 0.7015 NPC470237
Intermediate Similarity 0.7 NPC216630
Intermediate Similarity 0.7 NPC329550
Intermediate Similarity 0.7 NPC149184
Intermediate Similarity 0.7 NPC171736
Intermediate Similarity 0.7 NPC196924
Intermediate Similarity 0.7 NPC209970
Intermediate Similarity 0.7 NPC307783
Remote Similarity 0.6981 NPC42304
Remote Similarity 0.697 NPC475310
Remote Similarity 0.6964 NPC129458
Remote Similarity 0.6949 NPC323597
Remote Similarity 0.6949 NPC323498
Remote Similarity 0.6949 NPC323436
Remote Similarity 0.6949 NPC211752
Remote Similarity 0.6923 NPC53302
Remote Similarity 0.6912 NPC330016
Remote Similarity 0.6912 NPC474321
Remote Similarity 0.6912 NPC166797
Remote Similarity 0.6912 NPC227396
Remote Similarity 0.6909 NPC474391
Remote Similarity 0.6885 NPC299730
Remote Similarity 0.6875 NPC16119
Remote Similarity 0.6875 NPC142423
Remote Similarity 0.6875 NPC284447
Remote Similarity 0.6875 NPC308294
Remote Similarity 0.6866 NPC320669
Remote Similarity 0.6866 NPC318814
Remote Similarity 0.6866 NPC160817
Remote Similarity 0.6866 NPC84038
Remote Similarity 0.6863 NPC67462
Remote Similarity 0.6863 NPC236579
Remote Similarity 0.6863 NPC203531
Remote Similarity 0.6842 NPC10081
Remote Similarity 0.6842 NPC225066
Remote Similarity 0.6833 NPC469373
Remote Similarity 0.6825 NPC34883
Remote Similarity 0.6818 NPC199557
Remote Similarity 0.6812 NPC228978
Remote Similarity 0.6812 NPC476844
Remote Similarity 0.6809 NPC156630
Remote Similarity 0.6792 NPC76976
Remote Similarity 0.6786 NPC234829
Remote Similarity 0.678 NPC327388
Remote Similarity 0.6769 NPC474619
Remote Similarity 0.6765 NPC325627
Remote Similarity 0.6735 NPC22903
Remote Similarity 0.6735 NPC305660
Remote Similarity 0.6735 NPC201622
Remote Similarity 0.6735 NPC54980
Remote Similarity 0.6735 NPC155880
Remote Similarity 0.6735 NPC92863
Remote Similarity 0.6731 NPC74845
Remote Similarity 0.6731 NPC317128
Remote Similarity 0.6721 NPC329249
Remote Similarity 0.6721 NPC474267
Remote Similarity 0.6719 NPC476657
Remote Similarity 0.6719 NPC323045
Remote Similarity 0.6719 NPC320642
Remote Similarity 0.6719 NPC317881
Remote Similarity 0.6719 NPC98897

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  281.25
ALogP  -3.0205
MLogP  3.22
XLogP  7.711
HDA  2
HBD  0
Rotatable Bonds  17
TPSA  40.13
RO5 Violation  2