Drug Information

Drug ID:  NPD2699
Drug Name:  
Molecular Formula:  C17H34O2
Canonical SMILES:  CCCCCCCCCCCCCC(=O)OC(C)C
Standard InCHI:  InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
Standard InCHIKey:  AXISYYRBXTVTFY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2699

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 NPC47363
High Similarity 1.0 NPC287231
High Similarity 0.9512 NPC236579
High Similarity 0.9512 NPC203531
High Similarity 0.9024 NPC161097
High Similarity 0.9024 NPC256163
High Similarity 0.9024 NPC40597
High Similarity 0.9024 NPC12156
High Similarity 0.9024 NPC250028
High Similarity 0.9024 NPC149299
High Similarity 0.9024 NPC165533
High Similarity 0.9024 NPC28598
High Similarity 0.8913 NPC55678
High Similarity 0.8889 NPC106872
High Similarity 0.8864 NPC52700
High Similarity 0.8864 NPC63182
High Similarity 0.8864 NPC105329
High Similarity 0.8864 NPC145045
High Similarity 0.8837 NPC317128
High Similarity 0.881 NPC53541
High Similarity 0.878 NPC80234
High Similarity 0.878 NPC223249
High Similarity 0.8723 NPC287811
High Similarity 0.8667 NPC324004
High Similarity 0.8667 NPC328497
High Similarity 0.8667 NPC326957
High Similarity 0.8636 NPC273545
High Similarity 0.8537 NPC201622
High Similarity 0.8537 NPC305660
High Similarity 0.8537 NPC54980
High Similarity 0.8537 NPC22903
Intermediate Similarity 0.8444 NPC12438
Intermediate Similarity 0.8444 NPC30195
Intermediate Similarity 0.8333 NPC219536
Intermediate Similarity 0.8333 NPC31551
Intermediate Similarity 0.8298 NPC26253
Intermediate Similarity 0.8293 NPC128996
Intermediate Similarity 0.82 NPC320588
Intermediate Similarity 0.82 NPC23155
Intermediate Similarity 0.82 NPC469937
Intermediate Similarity 0.82 NPC53463
Intermediate Similarity 0.8182 NPC176500
Intermediate Similarity 0.8125 NPC90904
Intermediate Similarity 0.8049 NPC80641
Intermediate Similarity 0.8049 NPC154642
Intermediate Similarity 0.8049 NPC80396
Intermediate Similarity 0.8 NPC74845
Intermediate Similarity 0.7959 NPC314084
Intermediate Similarity 0.7955 NPC216630
Intermediate Similarity 0.7955 NPC196924
Intermediate Similarity 0.7955 NPC171736
Intermediate Similarity 0.7955 NPC149184
Intermediate Similarity 0.7955 NPC209970
Intermediate Similarity 0.7955 NPC307783
Intermediate Similarity 0.7917 NPC304162
Intermediate Similarity 0.7872 NPC249754
Intermediate Similarity 0.7826 NPC469781
Intermediate Similarity 0.7805 NPC156630
Intermediate Similarity 0.7805 NPC223374
Intermediate Similarity 0.7805 NPC196442
Intermediate Similarity 0.7805 NPC86545
Intermediate Similarity 0.7805 NPC301398
Intermediate Similarity 0.78 NPC310746
Intermediate Similarity 0.7778 NPC67462
Intermediate Similarity 0.7708 NPC131770
Intermediate Similarity 0.7708 NPC200618
Intermediate Similarity 0.766 NPC308301
Intermediate Similarity 0.7561 NPC154396
Intermediate Similarity 0.7561 NPC286498
Intermediate Similarity 0.75 NPC94368
Intermediate Similarity 0.75 NPC81263
Intermediate Similarity 0.75 NPC113928
Intermediate Similarity 0.75 NPC261080
Intermediate Similarity 0.75 NPC154186
Intermediate Similarity 0.75 NPC301696
Intermediate Similarity 0.75 NPC14227
Intermediate Similarity 0.75 NPC201844
Intermediate Similarity 0.75 NPC279026
Intermediate Similarity 0.75 NPC301585
Intermediate Similarity 0.7455 NPC470363
Intermediate Similarity 0.7447 NPC8219
Intermediate Similarity 0.74 NPC305182
Intermediate Similarity 0.7358 NPC223677
Intermediate Similarity 0.7358 NPC200845
Intermediate Similarity 0.7358 NPC128061
Intermediate Similarity 0.7358 NPC10316
Intermediate Similarity 0.7358 NPC28779
Intermediate Similarity 0.7317 NPC322892
Intermediate Similarity 0.7317 NPC286695
Intermediate Similarity 0.7255 NPC100096
Intermediate Similarity 0.7234 NPC255837
Intermediate Similarity 0.7234 NPC19305
Intermediate Similarity 0.72 NPC250919
Intermediate Similarity 0.7143 NPC472019
Intermediate Similarity 0.7143 NPC57499
Intermediate Similarity 0.7143 NPC21844
Intermediate Similarity 0.7143 NPC472020
Intermediate Similarity 0.7143 NPC226602
Intermediate Similarity 0.7111 NPC118968
Intermediate Similarity 0.7111 NPC214610
Intermediate Similarity 0.7111 NPC294085
Intermediate Similarity 0.7111 NPC183424
Intermediate Similarity 0.7073 NPC40965
Intermediate Similarity 0.7073 NPC12904
Intermediate Similarity 0.7069 NPC54925
Intermediate Similarity 0.7045 NPC14608
Intermediate Similarity 0.7021 NPC129972
Intermediate Similarity 0.7021 NPC301528
Intermediate Similarity 0.7021 NPC71317
Intermediate Similarity 0.7018 NPC229252
Intermediate Similarity 0.7018 NPC143857
Intermediate Similarity 0.7018 NPC472021
Intermediate Similarity 0.7 NPC324793
Intermediate Similarity 0.7 NPC216130
Intermediate Similarity 0.7 NPC477878
Remote Similarity 0.6981 NPC71761
Remote Similarity 0.6981 NPC39633
Remote Similarity 0.6981 NPC309606
Remote Similarity 0.6981 NPC139545
Remote Similarity 0.6977 NPC289344
Remote Similarity 0.6977 NPC155872
Remote Similarity 0.6949 NPC68343
Remote Similarity 0.6949 NPC328089
Remote Similarity 0.6949 NPC314103
Remote Similarity 0.6939 NPC282440
Remote Similarity 0.6897 NPC201939
Remote Similarity 0.6889 NPC268826
Remote Similarity 0.6875 NPC76051
Remote Similarity 0.6842 NPC17935
Remote Similarity 0.6833 NPC326651
Remote Similarity 0.6833 NPC322319
Remote Similarity 0.6833 NPC325117
Remote Similarity 0.6833 NPC469926
Remote Similarity 0.6818 NPC321699
Remote Similarity 0.6818 NPC155263
Remote Similarity 0.6809 NPC163746
Remote Similarity 0.6809 NPC103286
Remote Similarity 0.6792 NPC161366
Remote Similarity 0.678 NPC235788
Remote Similarity 0.6744 NPC139569
Remote Similarity 0.6744 NPC49615
Remote Similarity 0.6735 NPC55023
Remote Similarity 0.6727 NPC228473
Remote Similarity 0.6724 NPC243532
Remote Similarity 0.6724 NPC45097
Remote Similarity 0.6721 NPC135043
Remote Similarity 0.6721 NPC315525
Remote Similarity 0.6667 NPC76608
Remote Similarity 0.6667 NPC149101
Remote Similarity 0.6667 NPC225318
Remote Similarity 0.6667 NPC13105
Remote Similarity 0.6667 NPC16578
Remote Similarity 0.6613 NPC127091
Remote Similarity 0.6613 NPC475443
Remote Similarity 0.6613 NPC473829
Remote Similarity 0.6613 NPC104537
Remote Similarity 0.6613 NPC271921
Remote Similarity 0.6613 NPC22101
Remote Similarity 0.6613 NPC330426
Remote Similarity 0.6613 NPC148192
Remote Similarity 0.6613 NPC206601
Remote Similarity 0.6613 NPC469925
Remote Similarity 0.661 NPC320305
Remote Similarity 0.661 NPC328776
Remote Similarity 0.6604 NPC262968
Remote Similarity 0.66 NPC172042
Remote Similarity 0.66 NPC314679
Remote Similarity 0.6557 NPC306805
Remote Similarity 0.6557 NPC476330
Remote Similarity 0.6557 NPC215987
Remote Similarity 0.6552 NPC469924
Remote Similarity 0.6545 NPC289979
Remote Similarity 0.6545 NPC319589
Remote Similarity 0.6538 NPC223675
Remote Similarity 0.6522 NPC316546
Remote Similarity 0.6512 NPC147054
Remote Similarity 0.6508 NPC224700
Remote Similarity 0.6508 NPC48218
Remote Similarity 0.6508 NPC473559
Remote Similarity 0.6508 NPC141481
Remote Similarity 0.6508 NPC324981
Remote Similarity 0.6508 NPC82315
Remote Similarity 0.6508 NPC320663
Remote Similarity 0.65 NPC474552
Remote Similarity 0.6444 NPC474392
Remote Similarity 0.6444 NPC134782
Remote Similarity 0.6444 NPC301919
Remote Similarity 0.6444 NPC474914
Remote Similarity 0.6429 NPC168982
Remote Similarity 0.6415 NPC224227
Remote Similarity 0.6406 NPC241265
Remote Similarity 0.6406 NPC473772
Remote Similarity 0.6406 NPC178541
Remote Similarity 0.6406 NPC285003
Remote Similarity 0.6406 NPC317583
Remote Similarity 0.6364 NPC72722
Remote Similarity 0.6349 NPC286842
Remote Similarity 0.6346 NPC68577
Remote Similarity 0.6333 NPC469922
Remote Similarity 0.6333 NPC469923

Drug Structure

External Identifiers

TTD   DIB001893
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  270.26
ALogP  -3.1208
MLogP  3.11
XLogP  7.636
HDA  2
HBD  0
Rotatable Bonds  17
TPSA  26.3
RO5 Violation  2