Drug Information

Drug ID:  NPD2684
Drug Name:  
Molecular Formula:  C17H28O2
Canonical SMILES:  CCCCCCCCCc1ccc(cc1)OCCO
Standard InCHI:  InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
Standard InCHIKey:  KUXGUCNZFCVULO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2684

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 0.9505 NPC470393
High Similarity 0.9406 NPC108875
High Similarity 0.9406 NPC38079
High Similarity 0.9307 NPC192596
High Similarity 0.9208 NPC51633
High Similarity 0.9057 NPC46844
High Similarity 0.901 NPC100870
High Similarity 0.8952 NPC194034
High Similarity 0.8889 NPC115379
High Similarity 0.8889 NPC165646
High Similarity 0.8824 NPC471576
High Similarity 0.8796 NPC55300
High Similarity 0.8785 NPC474272
High Similarity 0.8774 NPC251306
High Similarity 0.8762 NPC473855
High Similarity 0.8762 NPC8302
High Similarity 0.8704 NPC137685
High Similarity 0.8679 NPC113457
High Similarity 0.8673 NPC163036
High Similarity 0.8661 NPC164386
High Similarity 0.8636 NPC301735
High Similarity 0.8609 NPC127389
High Similarity 0.8609 NPC290451
High Similarity 0.86 NPC321956
High Similarity 0.8598 NPC258171
High Similarity 0.8571 NPC305205
High Similarity 0.8534 NPC71090
High Similarity 0.8509 NPC311595
High Similarity 0.8509 NPC24474
High Similarity 0.85 NPC71853
High Similarity 0.85 NPC318429
Intermediate Similarity 0.8431 NPC471581
Intermediate Similarity 0.8426 NPC157473
Intermediate Similarity 0.8426 NPC227894
Intermediate Similarity 0.8426 NPC151530
Intermediate Similarity 0.8421 NPC474214
Intermediate Similarity 0.8421 NPC474040
Intermediate Similarity 0.8421 NPC101503
Intermediate Similarity 0.84 NPC8002
Intermediate Similarity 0.84 NPC177844
Intermediate Similarity 0.84 NPC259134
Intermediate Similarity 0.84 NPC99886
Intermediate Similarity 0.8393 NPC161696
Intermediate Similarity 0.8393 NPC235250
Intermediate Similarity 0.839 NPC109822
Intermediate Similarity 0.839 NPC114901
Intermediate Similarity 0.839 NPC94276
Intermediate Similarity 0.839 NPC293701
Intermediate Similarity 0.839 NPC48990
Intermediate Similarity 0.8365 NPC95755
Intermediate Similarity 0.8365 NPC470161
Intermediate Similarity 0.8362 NPC469412
Intermediate Similarity 0.8362 NPC207613
Intermediate Similarity 0.8362 NPC198734
Intermediate Similarity 0.8349 NPC75440
Intermediate Similarity 0.8349 NPC201959
Intermediate Similarity 0.8348 NPC474320
Intermediate Similarity 0.8333 NPC86947
Intermediate Similarity 0.8333 NPC326801
Intermediate Similarity 0.8333 NPC176971
Intermediate Similarity 0.8333 NPC92623
Intermediate Similarity 0.8333 NPC135464
Intermediate Similarity 0.8319 NPC194519
Intermediate Similarity 0.8318 NPC283546
Intermediate Similarity 0.8318 NPC292792
Intermediate Similarity 0.8302 NPC300166
Intermediate Similarity 0.8302 NPC307425
Intermediate Similarity 0.8291 NPC312675
Intermediate Similarity 0.8291 NPC473853
Intermediate Similarity 0.8291 NPC470212
Intermediate Similarity 0.8291 NPC343720
Intermediate Similarity 0.8291 NPC324571
Intermediate Similarity 0.8291 NPC113865
Intermediate Similarity 0.8291 NPC184651
Intermediate Similarity 0.8291 NPC262156
Intermediate Similarity 0.8291 NPC54872
Intermediate Similarity 0.8288 NPC139617
Intermediate Similarity 0.8288 NPC173746
Intermediate Similarity 0.8288 NPC78918
Intermediate Similarity 0.8288 NPC257124
Intermediate Similarity 0.8288 NPC156840
Intermediate Similarity 0.8288 NPC8547
Intermediate Similarity 0.8276 NPC60589
Intermediate Similarity 0.8276 NPC469708
Intermediate Similarity 0.8261 NPC470626
Intermediate Similarity 0.825 NPC58607
Intermediate Similarity 0.825 NPC178284
Intermediate Similarity 0.825 NPC191037
Intermediate Similarity 0.8246 NPC154256
Intermediate Similarity 0.8246 NPC290470
Intermediate Similarity 0.8246 NPC221049
Intermediate Similarity 0.8241 NPC154899
Intermediate Similarity 0.8241 NPC128730
Intermediate Similarity 0.8241 NPC473393
Intermediate Similarity 0.8241 NPC233396
Intermediate Similarity 0.822 NPC476142
Intermediate Similarity 0.822 NPC85488
Intermediate Similarity 0.8208 NPC107101
Intermediate Similarity 0.8205 NPC473875
Intermediate Similarity 0.8205 NPC199023
Intermediate Similarity 0.8205 NPC269242
Intermediate Similarity 0.8198 NPC25067
Intermediate Similarity 0.8198 NPC88868
Intermediate Similarity 0.8198 NPC231251
Intermediate Similarity 0.819 NPC310338
Intermediate Similarity 0.819 NPC281298
Intermediate Similarity 0.819 NPC135961
Intermediate Similarity 0.8182 NPC473993
Intermediate Similarity 0.8182 NPC291837
Intermediate Similarity 0.8182 NPC474119
Intermediate Similarity 0.8182 NPC41706
Intermediate Similarity 0.8182 NPC163332
Intermediate Similarity 0.8182 NPC147821
Intermediate Similarity 0.8182 NPC111247
Intermediate Similarity 0.8182 NPC118787
Intermediate Similarity 0.8182 NPC183181
Intermediate Similarity 0.8182 NPC319625
Intermediate Similarity 0.8182 NPC292056
Intermediate Similarity 0.8174 NPC293619
Intermediate Similarity 0.8167 NPC320242
Intermediate Similarity 0.8165 NPC326447
Intermediate Similarity 0.8151 NPC471693
Intermediate Similarity 0.8151 NPC31344
Intermediate Similarity 0.8151 NPC317769
Intermediate Similarity 0.8151 NPC280704
Intermediate Similarity 0.8151 NPC474130
Intermediate Similarity 0.8142 NPC35344
Intermediate Similarity 0.8142 NPC303522
Intermediate Similarity 0.8142 NPC165106
Intermediate Similarity 0.8142 NPC141003
Intermediate Similarity 0.8136 NPC470804
Intermediate Similarity 0.8136 NPC476343
Intermediate Similarity 0.8131 NPC310905
Intermediate Similarity 0.8131 NPC12714
Intermediate Similarity 0.8125 NPC266932
Intermediate Similarity 0.812 NPC95614
Intermediate Similarity 0.812 NPC165133
Intermediate Similarity 0.812 NPC242885
Intermediate Similarity 0.812 NPC56214
Intermediate Similarity 0.812 NPC227217
Intermediate Similarity 0.812 NPC117780
Intermediate Similarity 0.812 NPC232316
Intermediate Similarity 0.8115 NPC87224
Intermediate Similarity 0.8115 NPC222572
Intermediate Similarity 0.8108 NPC233731
Intermediate Similarity 0.8108 NPC7097
Intermediate Similarity 0.8108 NPC36108
Intermediate Similarity 0.8108 NPC246358
Intermediate Similarity 0.8103 NPC329980
Intermediate Similarity 0.8103 NPC255675
Intermediate Similarity 0.8103 NPC283616
Intermediate Similarity 0.8099 NPC304630
Intermediate Similarity 0.8099 NPC17837
Intermediate Similarity 0.8087 NPC9341
Intermediate Similarity 0.8087 NPC473556
Intermediate Similarity 0.8087 NPC81067
Intermediate Similarity 0.8087 NPC301651
Intermediate Similarity 0.8083 NPC287429
Intermediate Similarity 0.8073 NPC238115
Intermediate Similarity 0.8067 NPC150026
Intermediate Similarity 0.8067 NPC36016
Intermediate Similarity 0.8067 NPC100099
Intermediate Similarity 0.8067 NPC46586
Intermediate Similarity 0.8067 NPC204535
Intermediate Similarity 0.8065 NPC103799
Intermediate Similarity 0.8056 NPC298224
Intermediate Similarity 0.8056 NPC179686
Intermediate Similarity 0.8053 NPC199462
Intermediate Similarity 0.8051 NPC475529
Intermediate Similarity 0.8049 NPC470258
Intermediate Similarity 0.8049 NPC86030
Intermediate Similarity 0.8049 NPC270849
Intermediate Similarity 0.8049 NPC26653
Intermediate Similarity 0.8049 NPC218856
Intermediate Similarity 0.8049 NPC210623
Intermediate Similarity 0.8049 NPC3439
Intermediate Similarity 0.8049 NPC285339
Intermediate Similarity 0.8049 NPC5851
Intermediate Similarity 0.8049 NPC222004
Intermediate Similarity 0.8049 NPC202582
Intermediate Similarity 0.8049 NPC273295
Intermediate Similarity 0.8049 NPC190629
Intermediate Similarity 0.8049 NPC226788
Intermediate Similarity 0.8037 NPC13755
Intermediate Similarity 0.8036 NPC473809
Intermediate Similarity 0.8036 NPC475852
Intermediate Similarity 0.8034 NPC320987
Intermediate Similarity 0.8034 NPC37858
Intermediate Similarity 0.8034 NPC59561
Intermediate Similarity 0.8034 NPC32152
Intermediate Similarity 0.8034 NPC181969
Intermediate Similarity 0.8034 NPC172253
Intermediate Similarity 0.8019 NPC175298
Intermediate Similarity 0.8017 NPC167571
Intermediate Similarity 0.8017 NPC278552
Intermediate Similarity 0.8017 NPC87113
Intermediate Similarity 0.8017 NPC263754
Intermediate Similarity 0.8017 NPC81641
Intermediate Similarity 0.8017 NPC142042
Intermediate Similarity 0.8017 NPC148627

Drug Structure

External Identifiers

TTD   DIB013036
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  264.21
ALogP  -2.4935
MLogP  3.11
XLogP  6.729
HDA  1
HBD  1
Rotatable Bonds  13
TPSA  29.46
RO5 Violation  2