Drug Information

Drug ID:  NPD3174
Drug Name:  EF-13
Molecular Formula:  C18H30O2
Canonical SMILES:  CCCCC/C=CC/C=CC/C=CCCCCC(=O)[O-]
Standard InCHI:  InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-,13-12-
Standard InCHIKey:  VZCCETWTMQHEPK-QNEBEIHSSA-M
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3174

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 0.9333 NPC149821
High Similarity 0.9333 NPC5413
High Similarity 0.913 NPC224227
High Similarity 0.9111 NPC207292
High Similarity 0.8936 NPC262968
High Similarity 0.875 NPC92114
High Similarity 0.8696 NPC91495
High Similarity 0.8667 NPC117572
High Similarity 0.8571 NPC36061
High Similarity 0.8571 NPC39633
High Similarity 0.8571 NPC1813
High Similarity 0.8571 NPC321062
High Similarity 0.8571 NPC309606
High Similarity 0.8571 NPC70387
High Similarity 0.8571 NPC294548
High Similarity 0.8571 NPC139545
High Similarity 0.8571 NPC139029
High Similarity 0.8542 NPC284212
High Similarity 0.8542 NPC28205
High Similarity 0.8511 NPC163345
Intermediate Similarity 0.84 NPC87564
Intermediate Similarity 0.84 NPC85813
Intermediate Similarity 0.84 NPC25417
Intermediate Similarity 0.84 NPC6095
Intermediate Similarity 0.84 NPC88966
Intermediate Similarity 0.84 NPC281972
Intermediate Similarity 0.84 NPC424
Intermediate Similarity 0.84 NPC32467
Intermediate Similarity 0.84 NPC290563
Intermediate Similarity 0.84 NPC261831
Intermediate Similarity 0.84 NPC154245
Intermediate Similarity 0.8367 NPC281245
Intermediate Similarity 0.8333 NPC59051
Intermediate Similarity 0.8235 NPC200845
Intermediate Similarity 0.8235 NPC223677
Intermediate Similarity 0.8235 NPC128061
Intermediate Similarity 0.8235 NPC28779
Intermediate Similarity 0.8235 NPC10316
Intermediate Similarity 0.8235 NPC473863
Intermediate Similarity 0.8235 NPC274290
Intermediate Similarity 0.8235 NPC228473
Intermediate Similarity 0.82 NPC71761
Intermediate Similarity 0.8163 NPC48162
Intermediate Similarity 0.8077 NPC187777
Intermediate Similarity 0.8077 NPC18951
Intermediate Similarity 0.8077 NPC477201
Intermediate Similarity 0.8077 NPC179764
Intermediate Similarity 0.8 NPC216407
Intermediate Similarity 0.7925 NPC225929
Intermediate Similarity 0.7917 NPC216130
Intermediate Similarity 0.7885 NPC54766
Intermediate Similarity 0.7826 NPC270796
Intermediate Similarity 0.7755 NPC207815
Intermediate Similarity 0.7736 NPC325977
Intermediate Similarity 0.7708 NPC42304
Intermediate Similarity 0.7692 NPC322461
Intermediate Similarity 0.7647 NPC161366
Intermediate Similarity 0.7647 NPC129458
Intermediate Similarity 0.7636 NPC329550
Intermediate Similarity 0.7636 NPC106851
Intermediate Similarity 0.7636 NPC274927
Intermediate Similarity 0.7551 NPC180534
Intermediate Similarity 0.7547 NPC474672
Intermediate Similarity 0.7547 NPC477984
Intermediate Similarity 0.75 NPC243532
Intermediate Similarity 0.75 NPC92863
Intermediate Similarity 0.75 NPC225066
Intermediate Similarity 0.75 NPC251042
Intermediate Similarity 0.75 NPC229252
Intermediate Similarity 0.75 NPC122521
Intermediate Similarity 0.75 NPC174447
Intermediate Similarity 0.75 NPC143857
Intermediate Similarity 0.75 NPC155880
Intermediate Similarity 0.75 NPC10081
Intermediate Similarity 0.75 NPC235242
Intermediate Similarity 0.7455 NPC267817
Intermediate Similarity 0.7407 NPC327388
Intermediate Similarity 0.7368 NPC201939
Intermediate Similarity 0.7368 NPC40082
Intermediate Similarity 0.7358 NPC137538
Intermediate Similarity 0.7308 NPC170167
Intermediate Similarity 0.7308 NPC18357
Intermediate Similarity 0.7308 NPC303765
Intermediate Similarity 0.7273 NPC211752
Intermediate Similarity 0.7273 NPC323597
Intermediate Similarity 0.7273 NPC323498
Intermediate Similarity 0.7273 NPC323436
Intermediate Similarity 0.7241 NPC54925
Intermediate Similarity 0.7222 NPC52264
Intermediate Similarity 0.7222 NPC45626
Intermediate Similarity 0.7193 NPC328311
Intermediate Similarity 0.7193 NPC327112
Intermediate Similarity 0.7143 NPC172042
Intermediate Similarity 0.7143 NPC34416
Intermediate Similarity 0.7143 NPC329819
Intermediate Similarity 0.7143 NPC239754
Intermediate Similarity 0.7119 NPC328089
Intermediate Similarity 0.7119 NPC470320
Intermediate Similarity 0.7119 NPC68343
Intermediate Similarity 0.7115 NPC470410
Intermediate Similarity 0.7115 NPC244452
Intermediate Similarity 0.7115 NPC178586
Intermediate Similarity 0.7115 NPC470412
Intermediate Similarity 0.7069 NPC321838
Intermediate Similarity 0.7069 NPC174560
Intermediate Similarity 0.7069 NPC320305
Intermediate Similarity 0.7069 NPC125312
Intermediate Similarity 0.7069 NPC328776
Intermediate Similarity 0.7037 NPC87394
Intermediate Similarity 0.7018 NPC329249
Intermediate Similarity 0.7018 NPC478095
Intermediate Similarity 0.7 NPC255863
Intermediate Similarity 0.7 NPC326268
Intermediate Similarity 0.7 NPC136164
Intermediate Similarity 0.7 NPC110234
Intermediate Similarity 0.7 NPC318420
Intermediate Similarity 0.7 NPC317881
Intermediate Similarity 0.7 NPC245947
Intermediate Similarity 0.7 NPC44363
Intermediate Similarity 0.7 NPC320642
Intermediate Similarity 0.7 NPC163751
Intermediate Similarity 0.7 NPC323045
Remote Similarity 0.6923 NPC289388
Remote Similarity 0.6897 NPC81896
Remote Similarity 0.6897 NPC321919
Remote Similarity 0.6842 NPC478096
Remote Similarity 0.6833 NPC226592
Remote Similarity 0.6809 NPC123357
Remote Similarity 0.6792 NPC470411
Remote Similarity 0.6792 NPC477458
Remote Similarity 0.678 NPC113293
Remote Similarity 0.678 NPC477829
Remote Similarity 0.6774 NPC99619
Remote Similarity 0.6774 NPC49863
Remote Similarity 0.6774 NPC127091
Remote Similarity 0.6774 NPC271921
Remote Similarity 0.6774 NPC330426
Remote Similarity 0.6774 NPC22101
Remote Similarity 0.6774 NPC473829
Remote Similarity 0.6774 NPC104537
Remote Similarity 0.6774 NPC475443
Remote Similarity 0.6774 NPC148192
Remote Similarity 0.6774 NPC26500
Remote Similarity 0.6739 NPC180840
Remote Similarity 0.6731 NPC135698
Remote Similarity 0.6731 NPC250919
Remote Similarity 0.6724 NPC322002
Remote Similarity 0.6721 NPC323477
Remote Similarity 0.6667 NPC310746
Remote Similarity 0.6667 NPC322457
Remote Similarity 0.6667 NPC218477
Remote Similarity 0.6667 NPC324981
Remote Similarity 0.6667 NPC477779
Remote Similarity 0.6667 NPC151919
Remote Similarity 0.6667 NPC473559
Remote Similarity 0.6667 NPC48218
Remote Similarity 0.6667 NPC476614
Remote Similarity 0.6667 NPC141481
Remote Similarity 0.6613 NPC154728
Remote Similarity 0.6613 NPC304665
Remote Similarity 0.6613 NPC126899
Remote Similarity 0.6613 NPC308294
Remote Similarity 0.6613 NPC142423
Remote Similarity 0.6613 NPC328653
Remote Similarity 0.661 NPC45097
Remote Similarity 0.6607 NPC67367
Remote Similarity 0.6607 NPC46151
Remote Similarity 0.6604 NPC15325
Remote Similarity 0.6604 NPC474391
Remote Similarity 0.6604 NPC27264
Remote Similarity 0.6562 NPC317583
Remote Similarity 0.6562 NPC143396
Remote Similarity 0.6562 NPC473772
Remote Similarity 0.6557 NPC34883
Remote Similarity 0.6557 NPC234767
Remote Similarity 0.6552 NPC469373
Remote Similarity 0.6538 NPC324812
Remote Similarity 0.6531 NPC187922
Remote Similarity 0.6522 NPC185839
Remote Similarity 0.6508 NPC60120
Remote Similarity 0.6491 NPC252860
Remote Similarity 0.6481 NPC477777
Remote Similarity 0.6481 NPC148056
Remote Similarity 0.6471 NPC191337
Remote Similarity 0.6462 NPC472017
Remote Similarity 0.6462 NPC42526
Remote Similarity 0.6462 NPC476660
Remote Similarity 0.6452 NPC476657
Remote Similarity 0.6452 NPC476654
Remote Similarity 0.6452 NPC476655
Remote Similarity 0.6441 NPC474267
Remote Similarity 0.6441 NPC318306
Remote Similarity 0.6415 NPC15912
Remote Similarity 0.6415 NPC98284
Remote Similarity 0.6415 NPC234597
Remote Similarity 0.6406 NPC53302
Remote Similarity 0.6393 NPC155849
Remote Similarity 0.6393 NPC477707
Remote Similarity 0.6383 NPC226511
Remote Similarity 0.6379 NPC165808

Drug Structure

External Identifiers

TTD   DIB002022
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  277.22
ALogP  -0.2321
MLogP  3.22
XLogP  7.057
HDA  2
HBD  0
Rotatable Bonds  15
TPSA  40.13
RO5 Violation  2