Drug Information

Drug ID:  NPD622
Drug Name:  
Molecular Formula:  C11H20O2
Canonical SMILES:  C=CCCCCCCCCC(=O)O
Standard InCHI:  InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
Standard InCHIKey:  FRPZMMHWLSIFAZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD622

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 NPC180534
High Similarity 0.9167 NPC18357
High Similarity 0.9167 NPC281245
High Similarity 0.898 NPC139029
High Similarity 0.898 NPC36061
High Similarity 0.898 NPC294548
High Similarity 0.898 NPC1813
High Similarity 0.88 NPC6095
High Similarity 0.88 NPC87564
High Similarity 0.88 NPC25417
High Similarity 0.88 NPC281972
High Similarity 0.88 NPC85813
High Similarity 0.88 NPC32467
High Similarity 0.88 NPC424
High Similarity 0.88 NPC261831
High Similarity 0.88 NPC88966
High Similarity 0.88 NPC154245
High Similarity 0.88 NPC290563
High Similarity 0.8723 NPC216130
High Similarity 0.8627 NPC54766
High Similarity 0.86 NPC70387
High Similarity 0.86 NPC321062
High Similarity 0.8571 NPC470410
High Similarity 0.8571 NPC470412
Intermediate Similarity 0.8462 NPC187777
Intermediate Similarity 0.8462 NPC18951
Intermediate Similarity 0.8462 NPC477201
Intermediate Similarity 0.8462 NPC179764
Intermediate Similarity 0.84 NPC92114
Intermediate Similarity 0.8367 NPC224227
Intermediate Similarity 0.8333 NPC207292
Intermediate Similarity 0.8302 NPC225929
Intermediate Similarity 0.8269 NPC274290
Intermediate Similarity 0.8269 NPC473863
Intermediate Similarity 0.82 NPC262968
Intermediate Similarity 0.8163 NPC5413
Intermediate Similarity 0.8163 NPC149821
Intermediate Similarity 0.8148 NPC34416
Intermediate Similarity 0.8039 NPC161366
Intermediate Similarity 0.8 NPC59051
Intermediate Similarity 0.8 NPC274927
Intermediate Similarity 0.8 NPC106851
Intermediate Similarity 0.7885 NPC139545
Intermediate Similarity 0.7885 NPC39633
Intermediate Similarity 0.7885 NPC71761
Intermediate Similarity 0.7885 NPC309606
Intermediate Similarity 0.7857 NPC243532
Intermediate Similarity 0.7857 NPC174447
Intermediate Similarity 0.7857 NPC122521
Intermediate Similarity 0.7857 NPC251042
Intermediate Similarity 0.7857 NPC235242
Intermediate Similarity 0.7843 NPC28205
Intermediate Similarity 0.7818 NPC267817
Intermediate Similarity 0.7778 NPC301585
Intermediate Similarity 0.7778 NPC183424
Intermediate Similarity 0.7778 NPC261080
Intermediate Similarity 0.7778 NPC294085
Intermediate Similarity 0.7778 NPC201844
Intermediate Similarity 0.7778 NPC113928
Intermediate Similarity 0.7778 NPC214610
Intermediate Similarity 0.7778 NPC14227
Intermediate Similarity 0.7778 NPC118968
Intermediate Similarity 0.7778 NPC301696
Intermediate Similarity 0.7778 NPC279026
Intermediate Similarity 0.7778 NPC154186
Intermediate Similarity 0.7719 NPC174560
Intermediate Similarity 0.7719 NPC125312
Intermediate Similarity 0.7719 NPC40082
Intermediate Similarity 0.7719 NPC201939
Intermediate Similarity 0.76 NPC91495
Intermediate Similarity 0.7593 NPC28779
Intermediate Similarity 0.7593 NPC223677
Intermediate Similarity 0.7593 NPC200845
Intermediate Similarity 0.7593 NPC228473
Intermediate Similarity 0.7593 NPC128061
Intermediate Similarity 0.7593 NPC10316
Intermediate Similarity 0.7593 NPC52264
Intermediate Similarity 0.7556 NPC268826
Intermediate Similarity 0.7551 NPC117572
Intermediate Similarity 0.75 NPC284212
Intermediate Similarity 0.7458 NPC470320
Intermediate Similarity 0.7458 NPC328089
Intermediate Similarity 0.7458 NPC68343
Intermediate Similarity 0.7447 NPC307783
Intermediate Similarity 0.7447 NPC216630
Intermediate Similarity 0.7447 NPC196924
Intermediate Similarity 0.7447 NPC209970
Intermediate Similarity 0.7447 NPC171736
Intermediate Similarity 0.7447 NPC149184
Intermediate Similarity 0.7407 NPC137538
Intermediate Similarity 0.7407 NPC87394
Intermediate Similarity 0.7333 NPC318420
Intermediate Similarity 0.7333 NPC326268
Intermediate Similarity 0.7333 NPC136164
Intermediate Similarity 0.7333 NPC245947
Intermediate Similarity 0.7333 NPC255863
Intermediate Similarity 0.7292 NPC67462
Intermediate Similarity 0.7273 NPC45626
Intermediate Similarity 0.717 NPC48162
Intermediate Similarity 0.717 NPC470411
Intermediate Similarity 0.7167 NPC234767
Intermediate Similarity 0.7167 NPC226592
Intermediate Similarity 0.7143 NPC325977
Intermediate Similarity 0.7143 NPC255837
Intermediate Similarity 0.7143 NPC19305
Intermediate Similarity 0.7143 NPC74845
Intermediate Similarity 0.7119 NPC328776
Intermediate Similarity 0.7119 NPC477829
Intermediate Similarity 0.7119 NPC321838
Intermediate Similarity 0.7119 NPC320305
Intermediate Similarity 0.7115 NPC250919
Intermediate Similarity 0.7111 NPC155263
Intermediate Similarity 0.7111 NPC134782
Intermediate Similarity 0.7097 NPC26500
Intermediate Similarity 0.7097 NPC330426
Intermediate Similarity 0.7097 NPC148192
Intermediate Similarity 0.7097 NPC60120
Intermediate Similarity 0.7097 NPC22101
Intermediate Similarity 0.7097 NPC104537
Intermediate Similarity 0.7097 NPC127091
Intermediate Similarity 0.7097 NPC99619
Intermediate Similarity 0.7097 NPC271921
Intermediate Similarity 0.7059 NPC42304
Intermediate Similarity 0.7037 NPC310746
Intermediate Similarity 0.7037 NPC129458
Intermediate Similarity 0.7 NPC55023
Intermediate Similarity 0.7 NPC8219
Remote Similarity 0.6984 NPC141481
Remote Similarity 0.6984 NPC53302
Remote Similarity 0.6984 NPC48218
Remote Similarity 0.6984 NPC473559
Remote Similarity 0.6984 NPC476614
Remote Similarity 0.6984 NPC324981
Remote Similarity 0.6949 NPC229252
Remote Similarity 0.6949 NPC143857
Remote Similarity 0.6949 NPC45097
Remote Similarity 0.6909 NPC10081
Remote Similarity 0.6909 NPC225066
Remote Similarity 0.6897 NPC329819
Remote Similarity 0.6889 NPC156630
Remote Similarity 0.6885 NPC53642
Remote Similarity 0.6885 NPC470325
Remote Similarity 0.6875 NPC317583
Remote Similarity 0.6875 NPC143396
Remote Similarity 0.6875 NPC48930
Remote Similarity 0.6863 NPC30195
Remote Similarity 0.6863 NPC314679
Remote Similarity 0.6863 NPC12438
Remote Similarity 0.6825 NPC475443
Remote Similarity 0.6825 NPC473829
Remote Similarity 0.6809 NPC305660
Remote Similarity 0.6809 NPC54980
Remote Similarity 0.6809 NPC201622
Remote Similarity 0.6809 NPC22903
Remote Similarity 0.68 NPC270796
Remote Similarity 0.6792 NPC207815
Remote Similarity 0.6792 NPC163345
Remote Similarity 0.6786 NPC322461
Remote Similarity 0.678 NPC329550
Remote Similarity 0.6769 NPC476660
Remote Similarity 0.6769 NPC42526
Remote Similarity 0.6735 NPC163746
Remote Similarity 0.6735 NPC103286
Remote Similarity 0.6731 NPC21844
Remote Similarity 0.6731 NPC324004
Remote Similarity 0.6731 NPC328497
Remote Similarity 0.6727 NPC303765
Remote Similarity 0.6721 NPC54925
Remote Similarity 0.6721 NPC477707
Remote Similarity 0.6667 NPC320119
Remote Similarity 0.6667 NPC327112
Remote Similarity 0.6667 NPC223249
Remote Similarity 0.6667 NPC142423
Remote Similarity 0.6667 NPC472328
Remote Similarity 0.6667 NPC219536
Remote Similarity 0.6667 NPC328311
Remote Similarity 0.6667 NPC288667
Remote Similarity 0.6667 NPC31551
Remote Similarity 0.6667 NPC308294
Remote Similarity 0.6615 NPC473772
Remote Similarity 0.6604 NPC131770
Remote Similarity 0.6604 NPC106872
Remote Similarity 0.6604 NPC324793
Remote Similarity 0.6604 NPC477878
Remote Similarity 0.6604 NPC200618
Remote Similarity 0.66 NPC71317
Remote Similarity 0.66 NPC129972
Remote Similarity 0.66 NPC301528
Remote Similarity 0.6567 NPC326024
Remote Similarity 0.6562 NPC472875
Remote Similarity 0.6557 NPC113293
Remote Similarity 0.6552 NPC327388
Remote Similarity 0.6545 NPC178586
Remote Similarity 0.6545 NPC477458
Remote Similarity 0.6538 NPC166287
Remote Similarity 0.6538 NPC172042
Remote Similarity 0.6531 NPC40597
Remote Similarity 0.6531 NPC28598
Remote Similarity 0.6531 NPC149299
Remote Similarity 0.6531 NPC256163

Drug Structure

External Identifiers

TTD   DIB012801
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  184.15
ALogP  -0.9699
MLogP  2.45
XLogP  4.359
HDA  2
HBD  1
Rotatable Bonds  10
TPSA  37.3
RO5 Violation  0