Drug Information

Drug ID:  NPD2270
Drug Name:  
Molecular Formula:  C16H32O2
Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)O
Standard InCHI:  InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Standard InCHIKey:  IPCSVZSSVZVIGE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2270

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 NPC149184
High Similarity 1.0 NPC171736
High Similarity 1.0 NPC196924
High Similarity 1.0 NPC307783
High Similarity 1.0 NPC209970
High Similarity 1.0 NPC216630
High Similarity 0.9744 NPC67462
High Similarity 0.95 NPC74845
High Similarity 0.9474 NPC113928
High Similarity 0.9474 NPC301585
High Similarity 0.9474 NPC261080
High Similarity 0.9474 NPC201844
High Similarity 0.9474 NPC14227
High Similarity 0.9474 NPC301696
High Similarity 0.9474 NPC154186
High Similarity 0.9474 NPC279026
High Similarity 0.9268 NPC8219
High Similarity 0.9048 NPC30195
High Similarity 0.9048 NPC12438
High Similarity 0.9024 NPC255837
High Similarity 0.9024 NPC19305
High Similarity 0.8974 NPC183424
High Similarity 0.8974 NPC118968
High Similarity 0.8974 NPC214610
High Similarity 0.8974 NPC294085
High Similarity 0.8837 NPC324004
High Similarity 0.8837 NPC328497
High Similarity 0.8837 NPC21844
High Similarity 0.878 NPC301528
High Similarity 0.878 NPC129972
High Similarity 0.878 NPC71317
High Similarity 0.875 NPC28598
High Similarity 0.875 NPC161097
High Similarity 0.875 NPC12156
High Similarity 0.8718 NPC268826
High Similarity 0.8684 NPC155263
High Similarity 0.8636 NPC106872
High Similarity 0.8636 NPC477878
High Similarity 0.8636 NPC324793
High Similarity 0.8537 NPC163746
High Similarity 0.8537 NPC103286
Intermediate Similarity 0.8421 NPC156630
Intermediate Similarity 0.8372 NPC55023
Intermediate Similarity 0.8333 NPC203531
Intermediate Similarity 0.8333 NPC236579
Intermediate Similarity 0.8261 NPC90904
Intermediate Similarity 0.825 NPC305660
Intermediate Similarity 0.825 NPC201622
Intermediate Similarity 0.825 NPC22903
Intermediate Similarity 0.825 NPC54980
Intermediate Similarity 0.8205 NPC134782
Intermediate Similarity 0.8182 NPC314679
Intermediate Similarity 0.814 NPC317128
Intermediate Similarity 0.8049 NPC219536
Intermediate Similarity 0.8049 NPC31551
Intermediate Similarity 0.8043 NPC304162
Intermediate Similarity 0.8043 NPC26253
Intermediate Similarity 0.7955 NPC469781
Intermediate Similarity 0.7955 NPC47363
Intermediate Similarity 0.7955 NPC287231
Intermediate Similarity 0.7895 NPC175342
Intermediate Similarity 0.7857 NPC250028
Intermediate Similarity 0.7857 NPC149299
Intermediate Similarity 0.7857 NPC40597
Intermediate Similarity 0.7857 NPC165533
Intermediate Similarity 0.7857 NPC256163
Intermediate Similarity 0.7826 NPC200618
Intermediate Similarity 0.7826 NPC131770
Intermediate Similarity 0.7805 NPC73245
Intermediate Similarity 0.7755 NPC72722
Intermediate Similarity 0.7708 NPC470410
Intermediate Similarity 0.7708 NPC470412
Intermediate Similarity 0.7674 NPC325452
Intermediate Similarity 0.7674 NPC53541
Intermediate Similarity 0.7674 NPC248763
Intermediate Similarity 0.7619 NPC223249
Intermediate Similarity 0.7619 NPC80234
Intermediate Similarity 0.76 NPC290563
Intermediate Similarity 0.76 NPC281972
Intermediate Similarity 0.76 NPC85813
Intermediate Similarity 0.76 NPC424
Intermediate Similarity 0.76 NPC6095
Intermediate Similarity 0.76 NPC25417
Intermediate Similarity 0.76 NPC23155
Intermediate Similarity 0.76 NPC320588
Intermediate Similarity 0.76 NPC32467
Intermediate Similarity 0.76 NPC154245
Intermediate Similarity 0.76 NPC88966
Intermediate Similarity 0.76 NPC87564
Intermediate Similarity 0.76 NPC469937
Intermediate Similarity 0.76 NPC87394
Intermediate Similarity 0.76 NPC261831
Intermediate Similarity 0.76 NPC53463
Intermediate Similarity 0.7561 NPC158179
Intermediate Similarity 0.75 NPC289686
Intermediate Similarity 0.7447 NPC180534
Intermediate Similarity 0.7436 NPC328710
Intermediate Similarity 0.7436 NPC18224
Intermediate Similarity 0.74 NPC139029
Intermediate Similarity 0.74 NPC294548
Intermediate Similarity 0.74 NPC321062
Intermediate Similarity 0.74 NPC36061
Intermediate Similarity 0.74 NPC70387
Intermediate Similarity 0.74 NPC1813
Intermediate Similarity 0.7391 NPC166287
Intermediate Similarity 0.7347 NPC100096
Intermediate Similarity 0.7333 NPC76051
Intermediate Similarity 0.7308 NPC477201
Intermediate Similarity 0.7308 NPC18951
Intermediate Similarity 0.7209 NPC3531
Intermediate Similarity 0.72 NPC92114
Intermediate Similarity 0.72 NPC18357
Intermediate Similarity 0.72 NPC281245
Intermediate Similarity 0.7143 NPC252843
Intermediate Similarity 0.7143 NPC109026
Intermediate Similarity 0.7143 NPC55678
Intermediate Similarity 0.7143 NPC50457
Intermediate Similarity 0.7143 NPC128996
Intermediate Similarity 0.7105 NPC174368
Intermediate Similarity 0.7073 NPC317203
Intermediate Similarity 0.7021 NPC63182
Intermediate Similarity 0.7021 NPC145045
Intermediate Similarity 0.7021 NPC52700
Intermediate Similarity 0.7021 NPC105329
Intermediate Similarity 0.7 NPC287811
Intermediate Similarity 0.7 NPC262968
Remote Similarity 0.6981 NPC187777
Remote Similarity 0.6981 NPC179764
Remote Similarity 0.6977 NPC326532
Remote Similarity 0.6909 NPC106851
Remote Similarity 0.6909 NPC470363
Remote Similarity 0.6909 NPC274927
Remote Similarity 0.6909 NPC469924
Remote Similarity 0.6905 NPC80396
Remote Similarity 0.6905 NPC80641
Remote Similarity 0.6905 NPC154642
Remote Similarity 0.6875 NPC249754
Remote Similarity 0.6875 NPC326957
Remote Similarity 0.6863 NPC310746
Remote Similarity 0.6852 NPC225929
Remote Similarity 0.6829 NPC57499
Remote Similarity 0.6809 NPC273545
Remote Similarity 0.68 NPC59051
Remote Similarity 0.68 NPC224227
Remote Similarity 0.6792 NPC473863
Remote Similarity 0.6792 NPC54766
Remote Similarity 0.6792 NPC274290
Remote Similarity 0.6786 NPC243532
Remote Similarity 0.675 NPC149101
Remote Similarity 0.675 NPC76608
Remote Similarity 0.675 NPC225318
Remote Similarity 0.675 NPC16578
Remote Similarity 0.6744 NPC74352
Remote Similarity 0.6735 NPC216130
Remote Similarity 0.6731 NPC39633
Remote Similarity 0.6731 NPC139545
Remote Similarity 0.6731 NPC309606
Remote Similarity 0.6667 NPC223374
Remote Similarity 0.6667 NPC301398
Remote Similarity 0.6667 NPC308301
Remote Similarity 0.6667 NPC86545
Remote Similarity 0.6667 NPC196442
Remote Similarity 0.6667 NPC201939
Remote Similarity 0.6667 NPC469923
Remote Similarity 0.66 NPC476469
Remote Similarity 0.66 NPC149821
Remote Similarity 0.66 NPC5413
Remote Similarity 0.6585 NPC12231
Remote Similarity 0.6585 NPC152759
Remote Similarity 0.6585 NPC291158
Remote Similarity 0.6585 NPC139131
Remote Similarity 0.6585 NPC272998
Remote Similarity 0.6585 NPC205141
Remote Similarity 0.6585 NPC181516
Remote Similarity 0.6585 NPC185538
Remote Similarity 0.6552 NPC474552
Remote Similarity 0.6552 NPC235788
Remote Similarity 0.6538 NPC161366
Remote Similarity 0.6512 NPC474392
Remote Similarity 0.6512 NPC474914
Remote Similarity 0.65 NPC168982
Remote Similarity 0.6491 NPC251042
Remote Similarity 0.6491 NPC469921
Remote Similarity 0.6491 NPC122521
Remote Similarity 0.6491 NPC174447
Remote Similarity 0.6491 NPC235242
Remote Similarity 0.6481 NPC10316
Remote Similarity 0.6481 NPC128061
Remote Similarity 0.6481 NPC28779
Remote Similarity 0.6481 NPC200845
Remote Similarity 0.6481 NPC223677
Remote Similarity 0.6481 NPC228473
Remote Similarity 0.6471 NPC319110
Remote Similarity 0.6471 NPC329181
Remote Similarity 0.6471 NPC305182
Remote Similarity 0.6444 NPC81263
Remote Similarity 0.6441 NPC68343
Remote Similarity 0.6441 NPC328089
Remote Similarity 0.6441 NPC314103
Remote Similarity 0.6429 NPC49615

Drug Structure

External Identifiers

TTD   DIB015867
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  256.24
ALogP  -3.8977
MLogP  3
XLogP  7.57
HDA  2
HBD  1
Rotatable Bonds  16
TPSA  37.3
RO5 Violation  2