Drug Information

Drug ID:  NPD3178
Drug Name:  MKC-121
Molecular Formula:  C18H31NO2
Canonical SMILES:  CCCCCCCCCCCCCc1c[nH]c(c1)C(=O)O
Standard InCHI:  InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-17(18(20)21)19-15-16/h14-15,19H,2-13H2,1H3,(H,20,21)
Standard InCHIKey:  SAPABLLMPUULDD-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3178

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 0.8765 NPC33229
High Similarity 0.8683 NPC41717
High Similarity 0.8529 NPC302647
Intermediate Similarity 0.8483 NPC83111
Intermediate Similarity 0.8371 NPC278434
Intermediate Similarity 0.8316 NPC82370
Intermediate Similarity 0.8222 NPC209917
Intermediate Similarity 0.8202 NPC207851
Intermediate Similarity 0.8182 NPC248041
Intermediate Similarity 0.8182 NPC126709
Intermediate Similarity 0.8156 NPC311282
Intermediate Similarity 0.8079 NPC283219
Intermediate Similarity 0.8068 NPC267885
Intermediate Similarity 0.8033 NPC138370
Intermediate Similarity 0.8023 NPC14113
Intermediate Similarity 0.8023 NPC111275
Intermediate Similarity 0.8023 NPC145885
Intermediate Similarity 0.8023 NPC84827
Intermediate Similarity 0.8011 NPC149155
Intermediate Similarity 0.8011 NPC110500
Intermediate Similarity 0.8011 NPC203468
Intermediate Similarity 0.801 NPC472285
Intermediate Similarity 0.8 NPC273532
Intermediate Similarity 0.7989 NPC57398
Intermediate Similarity 0.7989 NPC78020
Intermediate Similarity 0.7959 NPC36405
Intermediate Similarity 0.7952 NPC302159
Intermediate Similarity 0.795 NPC229893
Intermediate Similarity 0.7914 NPC74153
Intermediate Similarity 0.7914 NPC141454
Intermediate Similarity 0.7912 NPC235684
Intermediate Similarity 0.7903 NPC202812
Intermediate Similarity 0.7897 NPC118940
Intermediate Similarity 0.7789 NPC45459
Intermediate Similarity 0.7789 NPC315491
Intermediate Similarity 0.7784 NPC266249
Intermediate Similarity 0.7778 NPC55772
Intermediate Similarity 0.7778 NPC213468
Intermediate Similarity 0.7778 NPC477041
Intermediate Similarity 0.7778 NPC477044
Intermediate Similarity 0.7766 NPC77061
Intermediate Similarity 0.7754 NPC473821
Intermediate Similarity 0.7751 NPC13432
Intermediate Similarity 0.7749 NPC471944
Intermediate Similarity 0.7737 NPC477045
Intermediate Similarity 0.7735 NPC477042
Intermediate Similarity 0.773 NPC321708
Intermediate Similarity 0.7725 NPC78767
Intermediate Similarity 0.7725 NPC473814
Intermediate Similarity 0.772 NPC477043
Intermediate Similarity 0.7704 NPC123839
Intermediate Similarity 0.7696 NPC213308
Intermediate Similarity 0.7688 NPC154339
Intermediate Similarity 0.7688 NPC212742
Intermediate Similarity 0.7668 NPC165599
Intermediate Similarity 0.766 NPC267343
Intermediate Similarity 0.7644 NPC123395
Intermediate Similarity 0.7644 NPC103361
Intermediate Similarity 0.7632 NPC262898
Intermediate Similarity 0.7622 NPC315555
Intermediate Similarity 0.7619 NPC15801
Intermediate Similarity 0.7619 NPC93390
Intermediate Similarity 0.76 NPC131718
Intermediate Similarity 0.76 NPC322644
Intermediate Similarity 0.7596 NPC71037
Intermediate Similarity 0.7592 NPC131887
Intermediate Similarity 0.7579 NPC179701
Intermediate Similarity 0.7561 NPC291517
Intermediate Similarity 0.7543 NPC474492
Intermediate Similarity 0.7526 NPC135950
Intermediate Similarity 0.7514 NPC102423
Intermediate Similarity 0.7514 NPC228835
Intermediate Similarity 0.7514 NPC162268
Intermediate Similarity 0.75 NPC469489
Intermediate Similarity 0.75 NPC82053
Intermediate Similarity 0.75 NPC470680
Intermediate Similarity 0.75 NPC471655
Intermediate Similarity 0.75 NPC67288
Intermediate Similarity 0.75 NPC100104
Intermediate Similarity 0.75 NPC52110
Intermediate Similarity 0.7488 NPC192712
Intermediate Similarity 0.7488 NPC74360
Intermediate Similarity 0.7486 NPC219336
Intermediate Similarity 0.7485 NPC85443
Intermediate Similarity 0.7473 NPC282103
Intermediate Similarity 0.7473 NPC295158
Intermediate Similarity 0.7464 NPC267853
Intermediate Similarity 0.7464 NPC315062
Intermediate Similarity 0.7463 NPC477979
Intermediate Similarity 0.7462 NPC244741
Intermediate Similarity 0.7462 NPC321428
Intermediate Similarity 0.7459 NPC313791
Intermediate Similarity 0.745 NPC110182
Intermediate Similarity 0.7448 NPC227582
Intermediate Similarity 0.7448 NPC156704
Intermediate Similarity 0.7447 NPC221873
Intermediate Similarity 0.7433 NPC94752
Intermediate Similarity 0.7432 NPC217372
Intermediate Similarity 0.7432 NPC183662
Intermediate Similarity 0.7432 NPC15573
Intermediate Similarity 0.7429 NPC244897
Intermediate Similarity 0.7424 NPC171787
Intermediate Similarity 0.7419 NPC477003
Intermediate Similarity 0.7414 NPC469765
Intermediate Similarity 0.7414 NPC469786
Intermediate Similarity 0.7414 NPC25008
Intermediate Similarity 0.7414 NPC73952
Intermediate Similarity 0.7414 NPC259644
Intermediate Similarity 0.7414 NPC469760
Intermediate Similarity 0.7414 NPC469763
Intermediate Similarity 0.7414 NPC312860
Intermediate Similarity 0.7411 NPC175602
Intermediate Similarity 0.7409 NPC474916
Intermediate Similarity 0.7396 NPC129412
Intermediate Similarity 0.7396 NPC114033
Intermediate Similarity 0.7396 NPC58268
Intermediate Similarity 0.7396 NPC101130
Intermediate Similarity 0.7394 NPC17059
Intermediate Similarity 0.7391 NPC11126
Intermediate Similarity 0.7389 NPC27041
Intermediate Similarity 0.7389 NPC312645
Intermediate Similarity 0.7387 NPC61038
Intermediate Similarity 0.738 NPC241025
Intermediate Similarity 0.738 NPC280290
Intermediate Similarity 0.7374 NPC183777
Intermediate Similarity 0.7374 NPC88008
Intermediate Similarity 0.7374 NPC233380
Intermediate Similarity 0.7371 NPC212376
Intermediate Similarity 0.7371 NPC211572
Intermediate Similarity 0.7371 NPC70922
Intermediate Similarity 0.7371 NPC80597
Intermediate Similarity 0.7371 NPC75540
Intermediate Similarity 0.7368 NPC167400
Intermediate Similarity 0.7363 NPC219087
Intermediate Similarity 0.7363 NPC207020
Intermediate Similarity 0.736 NPC473376
Intermediate Similarity 0.7358 NPC316411
Intermediate Similarity 0.7354 NPC75544
Intermediate Similarity 0.7349 NPC23215
Intermediate Similarity 0.734 NPC62749
Intermediate Similarity 0.734 NPC160381
Intermediate Similarity 0.7337 NPC284775
Intermediate Similarity 0.7333 NPC252338
Intermediate Similarity 0.7333 NPC160105
Intermediate Similarity 0.7333 NPC49954
Intermediate Similarity 0.7333 NPC474561
Intermediate Similarity 0.7327 NPC89508
Intermediate Similarity 0.7327 NPC229348
Intermediate Similarity 0.732 NPC472284
Intermediate Similarity 0.7318 NPC311276
Intermediate Similarity 0.731 NPC98715
Intermediate Similarity 0.731 NPC476098
Intermediate Similarity 0.7308 NPC262338
Intermediate Similarity 0.7305 NPC328029
Intermediate Similarity 0.7299 NPC24678
Intermediate Similarity 0.7299 NPC105818
Intermediate Similarity 0.7296 NPC300183
Intermediate Similarity 0.7292 NPC88315
Intermediate Similarity 0.7288 NPC469762
Intermediate Similarity 0.7283 NPC476419
Intermediate Similarity 0.7282 NPC54066
Intermediate Similarity 0.7282 NPC276657
Intermediate Similarity 0.7278 NPC42372
Intermediate Similarity 0.7277 NPC182222
Intermediate Similarity 0.7273 NPC469358
Intermediate Similarity 0.7273 NPC472259
Intermediate Similarity 0.7273 NPC263455
Intermediate Similarity 0.7273 NPC132539
Intermediate Similarity 0.7263 NPC282231
Intermediate Similarity 0.7263 NPC213629
Intermediate Similarity 0.7262 NPC114310
Intermediate Similarity 0.7259 NPC476874
Intermediate Similarity 0.7258 NPC469896
Intermediate Similarity 0.7257 NPC109158
Intermediate Similarity 0.7254 NPC157828
Intermediate Similarity 0.7254 NPC195239
Intermediate Similarity 0.7247 NPC230869
Intermediate Similarity 0.7241 NPC207866
Intermediate Similarity 0.724 NPC472292
Intermediate Similarity 0.724 NPC47190
Intermediate Similarity 0.7232 NPC141353
Intermediate Similarity 0.7232 NPC469785
Intermediate Similarity 0.7231 NPC171317
Intermediate Similarity 0.7231 NPC248782
Intermediate Similarity 0.7231 NPC470499
Intermediate Similarity 0.7228 NPC293216
Intermediate Similarity 0.7216 NPC11445
Intermediate Similarity 0.7216 NPC472293
Intermediate Similarity 0.7214 NPC478158
Intermediate Similarity 0.7214 NPC325297
Intermediate Similarity 0.7213 NPC249614
Intermediate Similarity 0.7209 NPC104712
Intermediate Similarity 0.7208 NPC98864
Intermediate Similarity 0.7207 NPC279918
Intermediate Similarity 0.7206 NPC478157
Intermediate Similarity 0.7202 NPC247735
Intermediate Similarity 0.7202 NPC472295
Intermediate Similarity 0.7202 NPC98156
Intermediate Similarity 0.7202 NPC292434
Intermediate Similarity 0.7202 NPC200397

Drug Structure

External Identifiers

TTD   DIB006434
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  293.24
ALogP  -3.7145
MLogP  3.11
XLogP  7.387
HDA  3
HBD  2
Rotatable Bonds  15
TPSA  53.09
RO5 Violation  2