Drug Information

Drug ID:  NPD633
Drug Name:  Undecanoate
Molecular Formula:  C11H22O2
Canonical SMILES:  CCCCCCCCCCC(=O)O
Standard InCHI:  InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
Standard InCHIKey:  ZDPHROOEEOARMN-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD633

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 NPC113928
High Similarity 1.0 NPC154186
High Similarity 1.0 NPC301585
High Similarity 1.0 NPC301696
High Similarity 1.0 NPC201844
High Similarity 1.0 NPC14227
High Similarity 1.0 NPC261080
High Similarity 1.0 NPC279026
High Similarity 0.9474 NPC171736
High Similarity 0.9474 NPC216630
High Similarity 0.9474 NPC307783
High Similarity 0.9474 NPC209970
High Similarity 0.9474 NPC149184
High Similarity 0.9474 NPC196924
High Similarity 0.9459 NPC183424
High Similarity 0.9459 NPC294085
High Similarity 0.9459 NPC118968
High Similarity 0.9459 NPC214610
High Similarity 0.9231 NPC67462
High Similarity 0.9189 NPC268826
High Similarity 0.9167 NPC155263
High Similarity 0.9 NPC19305
High Similarity 0.9 NPC74845
High Similarity 0.9 NPC255837
High Similarity 0.8889 NPC156630
High Similarity 0.878 NPC55023
High Similarity 0.878 NPC8219
High Similarity 0.8684 NPC22903
High Similarity 0.8684 NPC305660
High Similarity 0.8684 NPC54980
High Similarity 0.8684 NPC201622
High Similarity 0.8649 NPC134782
High Similarity 0.8571 NPC314679
High Similarity 0.8571 NPC30195
High Similarity 0.8571 NPC12438
High Similarity 0.85 NPC163746
High Similarity 0.85 NPC103286
Intermediate Similarity 0.8462 NPC31551
Intermediate Similarity 0.8462 NPC219536
Intermediate Similarity 0.8372 NPC324004
Intermediate Similarity 0.8372 NPC328497
Intermediate Similarity 0.8372 NPC21844
Intermediate Similarity 0.8333 NPC175342
Intermediate Similarity 0.8293 NPC301528
Intermediate Similarity 0.8293 NPC129972
Intermediate Similarity 0.8293 NPC71317
Intermediate Similarity 0.825 NPC12156
Intermediate Similarity 0.825 NPC250028
Intermediate Similarity 0.825 NPC161097
Intermediate Similarity 0.825 NPC28598
Intermediate Similarity 0.825 NPC149299
Intermediate Similarity 0.825 NPC256163
Intermediate Similarity 0.825 NPC40597
Intermediate Similarity 0.8205 NPC73245
Intermediate Similarity 0.8182 NPC131770
Intermediate Similarity 0.8182 NPC324793
Intermediate Similarity 0.8182 NPC477878
Intermediate Similarity 0.8182 NPC200618
Intermediate Similarity 0.8182 NPC106872
Intermediate Similarity 0.8049 NPC325452
Intermediate Similarity 0.8049 NPC53541
Intermediate Similarity 0.8049 NPC248763
Intermediate Similarity 0.8 NPC223249
Intermediate Similarity 0.8 NPC304162
Intermediate Similarity 0.8 NPC80234
Intermediate Similarity 0.7857 NPC203531
Intermediate Similarity 0.7857 NPC236579
Intermediate Similarity 0.7857 NPC289686
Intermediate Similarity 0.7838 NPC328710
Intermediate Similarity 0.7838 NPC18224
Intermediate Similarity 0.7826 NPC90904
Intermediate Similarity 0.7805 NPC165533
Intermediate Similarity 0.7778 NPC180534
Intermediate Similarity 0.7727 NPC166287
Intermediate Similarity 0.7674 NPC76051
Intermediate Similarity 0.7674 NPC317128
Intermediate Similarity 0.766 NPC470412
Intermediate Similarity 0.766 NPC470410
Intermediate Similarity 0.7609 NPC26253
Intermediate Similarity 0.7561 NPC3531
Intermediate Similarity 0.75 NPC109026
Intermediate Similarity 0.75 NPC252843
Intermediate Similarity 0.75 NPC287231
Intermediate Similarity 0.75 NPC47363
Intermediate Similarity 0.75 NPC174368
Intermediate Similarity 0.75 NPC158179
Intermediate Similarity 0.75 NPC469781
Intermediate Similarity 0.75 NPC281245
Intermediate Similarity 0.7447 NPC50457
Intermediate Similarity 0.7436 NPC317203
Intermediate Similarity 0.7347 NPC36061
Intermediate Similarity 0.7347 NPC72722
Intermediate Similarity 0.7347 NPC1813
Intermediate Similarity 0.7347 NPC294548
Intermediate Similarity 0.7347 NPC139029
Intermediate Similarity 0.7333 NPC63182
Intermediate Similarity 0.7333 NPC52700
Intermediate Similarity 0.7333 NPC105329
Intermediate Similarity 0.7333 NPC145045
Intermediate Similarity 0.7317 NPC326532
Intermediate Similarity 0.7292 NPC100096
Intermediate Similarity 0.725 NPC80641
Intermediate Similarity 0.725 NPC154642
Intermediate Similarity 0.725 NPC80396
Intermediate Similarity 0.72 NPC290563
Intermediate Similarity 0.72 NPC281972
Intermediate Similarity 0.72 NPC85813
Intermediate Similarity 0.72 NPC424
Intermediate Similarity 0.72 NPC6095
Intermediate Similarity 0.72 NPC25417
Intermediate Similarity 0.72 NPC23155
Intermediate Similarity 0.72 NPC320588
Intermediate Similarity 0.72 NPC32467
Intermediate Similarity 0.72 NPC154245
Intermediate Similarity 0.72 NPC87394
Intermediate Similarity 0.72 NPC88966
Intermediate Similarity 0.72 NPC87564
Intermediate Similarity 0.72 NPC469937
Intermediate Similarity 0.72 NPC261831
Intermediate Similarity 0.72 NPC53463
Intermediate Similarity 0.7179 NPC57499
Intermediate Similarity 0.7174 NPC326957
Intermediate Similarity 0.7143 NPC18357
Intermediate Similarity 0.7111 NPC273545
Intermediate Similarity 0.7021 NPC216130
Intermediate Similarity 0.7 NPC301398
Intermediate Similarity 0.7 NPC70387
Intermediate Similarity 0.7 NPC196442
Intermediate Similarity 0.7 NPC223374
Intermediate Similarity 0.7 NPC321062
Intermediate Similarity 0.7 NPC86545
Remote Similarity 0.6923 NPC187777
Remote Similarity 0.6923 NPC18951
Remote Similarity 0.6923 NPC477201
Remote Similarity 0.6923 NPC179764
Remote Similarity 0.6875 NPC476469
Remote Similarity 0.6842 NPC168982
Remote Similarity 0.68 NPC92114
Remote Similarity 0.6792 NPC225929
Remote Similarity 0.675 NPC127142
Remote Similarity 0.675 NPC286498
Remote Similarity 0.675 NPC7814
Remote Similarity 0.675 NPC154396
Remote Similarity 0.6744 NPC81263
Remote Similarity 0.6735 NPC55678
Remote Similarity 0.6735 NPC305182
Remote Similarity 0.6735 NPC224227
Remote Similarity 0.6731 NPC274290
Remote Similarity 0.6731 NPC473863
Remote Similarity 0.6731 NPC54766
Remote Similarity 0.6667 NPC176500
Remote Similarity 0.6667 NPC149209
Remote Similarity 0.6667 NPC128996
Remote Similarity 0.66 NPC262968
Remote Similarity 0.66 NPC314084
Remote Similarity 0.66 NPC287811
Remote Similarity 0.6579 NPC153439
Remote Similarity 0.6579 NPC221192
Remote Similarity 0.6579 NPC79887
Remote Similarity 0.6579 NPC29561
Remote Similarity 0.6579 NPC196434
Remote Similarity 0.6579 NPC4962
Remote Similarity 0.6579 NPC222997
Remote Similarity 0.6579 NPC42403
Remote Similarity 0.6545 NPC475821
Remote Similarity 0.6545 NPC274927
Remote Similarity 0.6545 NPC470363
Remote Similarity 0.6545 NPC17935
Remote Similarity 0.6545 NPC469924
Remote Similarity 0.6545 NPC106851
Remote Similarity 0.6531 NPC149821
Remote Similarity 0.6531 NPC250919
Remote Similarity 0.6531 NPC5413
Remote Similarity 0.65 NPC125575
Remote Similarity 0.65 NPC322892
Remote Similarity 0.65 NPC286695
Remote Similarity 0.6471 NPC161366
Remote Similarity 0.6471 NPC310746
Remote Similarity 0.6458 NPC249754
Remote Similarity 0.6429 NPC243532
Remote Similarity 0.6429 NPC251042
Remote Similarity 0.6429 NPC235242
Remote Similarity 0.6429 NPC469921
Remote Similarity 0.6429 NPC174447
Remote Similarity 0.6429 NPC122521
Remote Similarity 0.641 NPC236797
Remote Similarity 0.641 NPC147096
Remote Similarity 0.641 NPC24506
Remote Similarity 0.641 NPC185041
Remote Similarity 0.641 NPC225783
Remote Similarity 0.641 NPC112242
Remote Similarity 0.641 NPC163556
Remote Similarity 0.64 NPC59051
Remote Similarity 0.6364 NPC34416
Remote Similarity 0.6346 NPC309606
Remote Similarity 0.6346 NPC139545
Remote Similarity 0.6346 NPC39633
Remote Similarity 0.6327 NPC207292
Remote Similarity 0.6316 NPC38859
Remote Similarity 0.6316 NPC40082

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  186.16
ALogP  -2.4577
MLogP  2.45
XLogP  4.725
HDA  2
HBD  1
Rotatable Bonds  11
TPSA  37.3
RO5 Violation  0