Drug Information

Drug ID:  NPD2272
Drug Name:  Cetyl Alcohol
Molecular Formula:  C16H34O
Canonical SMILES:  CCCCCCCCCCCCCCCCO
Standard InCHI:  InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
Standard InCHIKey:  BXWNKGSJHAJOGX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2272

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 NPC139131
High Similarity 1.0 NPC181516
High Similarity 1.0 NPC272998
High Similarity 1.0 NPC291158
High Similarity 1.0 NPC205141
High Similarity 1.0 NPC185538
High Similarity 0.9667 NPC126915
High Similarity 0.9375 NPC97967
High Similarity 0.9355 NPC12231
High Similarity 0.9355 NPC152759
High Similarity 0.9333 NPC112242
High Similarity 0.9333 NPC236797
High Similarity 0.9333 NPC24506
High Similarity 0.9333 NPC147096
High Similarity 0.9333 NPC163556
High Similarity 0.9333 NPC185041
High Similarity 0.9333 NPC225783
High Similarity 0.9091 NPC474392
High Similarity 0.9091 NPC474914
High Similarity 0.8824 NPC74352
High Similarity 0.875 NPC319034
High Similarity 0.875 NPC1748
High Similarity 0.875 NPC66124
High Similarity 0.875 NPC193062
High Similarity 0.875 NPC72324
High Similarity 0.8667 NPC279895
Intermediate Similarity 0.8438 NPC122962
Intermediate Similarity 0.8438 NPC267243
Intermediate Similarity 0.8333 NPC221022
Intermediate Similarity 0.8056 NPC197039
Intermediate Similarity 0.7838 NPC471282
Intermediate Similarity 0.7812 NPC110884
Intermediate Similarity 0.7778 NPC177022
Intermediate Similarity 0.7667 NPC275462
Intermediate Similarity 0.7632 NPC160261
Intermediate Similarity 0.7632 NPC152008
Intermediate Similarity 0.7632 NPC469759
Intermediate Similarity 0.75 NPC159845
Intermediate Similarity 0.7429 NPC139569
Intermediate Similarity 0.7429 NPC283682
Intermediate Similarity 0.7429 NPC474089
Intermediate Similarity 0.7429 NPC474120
Intermediate Similarity 0.7317 NPC215358
Intermediate Similarity 0.7317 NPC469781
Intermediate Similarity 0.7143 NPC76976
Intermediate Similarity 0.7143 NPC473914
Intermediate Similarity 0.7143 NPC12438
Intermediate Similarity 0.7143 NPC30195
Intermediate Similarity 0.7097 NPC213764
Intermediate Similarity 0.7 NPC52403
Remote Similarity 0.6977 NPC319709
Remote Similarity 0.6977 NPC328497
Remote Similarity 0.6977 NPC324004
Remote Similarity 0.6977 NPC289484
Remote Similarity 0.697 NPC223195
Remote Similarity 0.6923 NPC31557
Remote Similarity 0.6923 NPC28394
Remote Similarity 0.6905 NPC62014
Remote Similarity 0.6875 NPC560
Remote Similarity 0.6857 NPC272426
Remote Similarity 0.6842 NPC128996
Remote Similarity 0.6818 NPC106872
Remote Similarity 0.6667 NPC76051
Remote Similarity 0.6667 NPC252978
Remote Similarity 0.6591 NPC8597
Remote Similarity 0.6585 NPC307783
Remote Similarity 0.6585 NPC209970
Remote Similarity 0.6585 NPC216630
Remote Similarity 0.6585 NPC149184
Remote Similarity 0.6585 NPC171736
Remote Similarity 0.6585 NPC196924
Remote Similarity 0.6585 NPC241279
Remote Similarity 0.6579 NPC61665
Remote Similarity 0.6562 NPC232554
Remote Similarity 0.6522 NPC90904
Remote Similarity 0.6471 NPC325345
Remote Similarity 0.6429 NPC67462
Remote Similarity 0.641 NPC277333
Remote Similarity 0.6364 NPC87439
Remote Similarity 0.6333 NPC294703
Remote Similarity 0.6316 NPC196442
Remote Similarity 0.6316 NPC223374
Remote Similarity 0.6316 NPC86545
Remote Similarity 0.6316 NPC301398
Remote Similarity 0.6304 NPC26253
Remote Similarity 0.6304 NPC304162
Remote Similarity 0.6279 NPC74845
Remote Similarity 0.6279 NPC144891
Remote Similarity 0.625 NPC123814
Remote Similarity 0.625 NPC199270
Remote Similarity 0.625 NPC474322
Remote Similarity 0.625 NPC245688
Remote Similarity 0.6222 NPC176309
Remote Similarity 0.6222 NPC287550
Remote Similarity 0.6222 NPC198540
Remote Similarity 0.6222 NPC147343
Remote Similarity 0.6222 NPC84030
Remote Similarity 0.6222 NPC223468
Remote Similarity 0.6216 NPC147054
Remote Similarity 0.6176 NPC39869
Remote Similarity 0.6176 NPC276332
Remote Similarity 0.6154 NPC328441
Remote Similarity 0.6136 NPC240994
Remote Similarity 0.6136 NPC8219
Remote Similarity 0.6122 NPC270041
Remote Similarity 0.6098 NPC261080
Remote Similarity 0.6098 NPC279026
Remote Similarity 0.6098 NPC201844
Remote Similarity 0.6098 NPC301585
Remote Similarity 0.6098 NPC14227
Remote Similarity 0.6098 NPC301696
Remote Similarity 0.6098 NPC113928
Remote Similarity 0.6098 NPC154186
Remote Similarity 0.6087 NPC96966
Remote Similarity 0.6087 NPC29222
Remote Similarity 0.6087 NPC200618
Remote Similarity 0.6087 NPC121062
Remote Similarity 0.6087 NPC131770
Remote Similarity 0.6053 NPC286498
Remote Similarity 0.6047 NPC474125
Remote Similarity 0.6047 NPC71317
Remote Similarity 0.6047 NPC129972
Remote Similarity 0.6047 NPC301528
Remote Similarity 0.6047 NPC249801
Remote Similarity 0.6047 NPC474126
Remote Similarity 0.6047 NPC203531
Remote Similarity 0.6047 NPC46248
Remote Similarity 0.6047 NPC236579
Remote Similarity 0.6 NPC289979
Remote Similarity 0.6 NPC53463
Remote Similarity 0.6 NPC23155
Remote Similarity 0.6 NPC469937
Remote Similarity 0.6 NPC320588
Remote Similarity 0.5952 NPC28598
Remote Similarity 0.5952 NPC161097
Remote Similarity 0.5938 NPC39977
Remote Similarity 0.5909 NPC255837
Remote Similarity 0.5909 NPC19305
Remote Similarity 0.5882 NPC252154
Remote Similarity 0.587 NPC21844
Remote Similarity 0.5854 NPC473568
Remote Similarity 0.5854 NPC469714
Remote Similarity 0.5854 NPC469712
Remote Similarity 0.5814 NPC103286
Remote Similarity 0.5814 NPC163746
Remote Similarity 0.5814 NPC474361
Remote Similarity 0.58 NPC474496
Remote Similarity 0.58 NPC187361
Remote Similarity 0.58 NPC477724
Remote Similarity 0.58 NPC26102
Remote Similarity 0.5778 NPC287231
Remote Similarity 0.5778 NPC47363
Remote Similarity 0.5778 NPC108195
Remote Similarity 0.5769 NPC148424
Remote Similarity 0.5769 NPC471605
Remote Similarity 0.5769 NPC8979
Remote Similarity 0.5769 NPC471443
Remote Similarity 0.5758 NPC256186
Remote Similarity 0.5758 NPC23071
Remote Similarity 0.575 NPC80641
Remote Similarity 0.5745 NPC477878
Remote Similarity 0.5745 NPC314087
Remote Similarity 0.5745 NPC324793
Remote Similarity 0.5714 NPC214610
Remote Similarity 0.5714 NPC474495
Remote Similarity 0.5714 NPC183424
Remote Similarity 0.5714 NPC118968
Remote Similarity 0.5714 NPC473672
Remote Similarity 0.5714 NPC129263
Remote Similarity 0.5714 NPC100096
Remote Similarity 0.5714 NPC294085
Remote Similarity 0.5686 NPC256209
Remote Similarity 0.5686 NPC49059
Remote Similarity 0.5667 NPC239406
Remote Similarity 0.5667 NPC26974
Remote Similarity 0.5667 NPC311000
Remote Similarity 0.5667 NPC154477
Remote Similarity 0.5667 NPC26229
Remote Similarity 0.5667 NPC77249
Remote Similarity 0.566 NPC322148
Remote Similarity 0.566 NPC135438
Remote Similarity 0.5641 NPC49615
Remote Similarity 0.5625 NPC299484
Remote Similarity 0.5625 NPC88839
Remote Similarity 0.5625 NPC219266
Remote Similarity 0.5625 NPC110344

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  242.26
ALogP  -4.4294
MLogP  3.11
XLogP  7.679
HDA  1
HBD  1
Rotatable Bonds  16
TPSA  20.23
RO5 Violation  2