Drug Information

Drug ID:  NPD2237
Drug Name:  Moxisylyte
Molecular Formula:  C16H25NO3
Canonical SMILES:  CN(CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C
Standard InCHI:  InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3
Standard InCHIKey:  VRYMTAVOXVTQEF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2237

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 0.8512 NPC280760
Intermediate Similarity 0.8492 NPC322569
Intermediate Similarity 0.8333 NPC98748
Intermediate Similarity 0.8217 NPC473464
Intermediate Similarity 0.8217 NPC476332
Intermediate Similarity 0.8168 NPC170749
Intermediate Similarity 0.8167 NPC30416
Intermediate Similarity 0.797 NPC128321
Intermediate Similarity 0.797 NPC329272
Intermediate Similarity 0.7937 NPC87563
Intermediate Similarity 0.7891 NPC238075
Intermediate Similarity 0.7852 NPC176590
Intermediate Similarity 0.7852 NPC81261
Intermediate Similarity 0.7769 NPC24327
Intermediate Similarity 0.7769 NPC12870
Intermediate Similarity 0.7737 NPC249425
Intermediate Similarity 0.771 NPC14177
Intermediate Similarity 0.7687 NPC474237
Intermediate Similarity 0.7681 NPC474200
Intermediate Similarity 0.7669 NPC302211
Intermediate Similarity 0.7652 NPC212559
Intermediate Similarity 0.7652 NPC96423
Intermediate Similarity 0.7647 NPC156298
Intermediate Similarity 0.7642 NPC473855
Intermediate Similarity 0.7638 NPC26615
Intermediate Similarity 0.7634 NPC51341
Intermediate Similarity 0.7634 NPC471449
Intermediate Similarity 0.7634 NPC234956
Intermediate Similarity 0.7597 NPC283169
Intermediate Similarity 0.7594 NPC168707
Intermediate Similarity 0.7594 NPC48623
Intermediate Similarity 0.7594 NPC475839
Intermediate Similarity 0.7578 NPC190212
Intermediate Similarity 0.7576 NPC471504
Intermediate Similarity 0.7576 NPC474131
Intermediate Similarity 0.7576 NPC473290
Intermediate Similarity 0.7537 NPC188997
Intermediate Similarity 0.7519 NPC45663
Intermediate Similarity 0.7518 NPC474670
Intermediate Similarity 0.75 NPC32152
Intermediate Similarity 0.7481 NPC248786
Intermediate Similarity 0.7481 NPC471498
Intermediate Similarity 0.7481 NPC470887
Intermediate Similarity 0.7481 NPC187993
Intermediate Similarity 0.7481 NPC261992
Intermediate Similarity 0.7481 NPC255253
Intermediate Similarity 0.7481 NPC471503
Intermediate Similarity 0.7481 NPC238176
Intermediate Similarity 0.748 NPC95977
Intermediate Similarity 0.7464 NPC474636
Intermediate Similarity 0.7445 NPC101894
Intermediate Similarity 0.7445 NPC474632
Intermediate Similarity 0.7444 NPC328485
Intermediate Similarity 0.7444 NPC232295
Intermediate Similarity 0.7442 NPC303522
Intermediate Similarity 0.7438 NPC313918
Intermediate Similarity 0.7426 NPC276962
Intermediate Similarity 0.7426 NPC190086
Intermediate Similarity 0.7426 NPC147896
Intermediate Similarity 0.7424 NPC159916
Intermediate Similarity 0.7424 NPC283616
Intermediate Similarity 0.7422 NPC470723
Intermediate Similarity 0.7422 NPC275627
Intermediate Similarity 0.7419 NPC283546
Intermediate Similarity 0.7405 NPC69539
Intermediate Similarity 0.7405 NPC163398
Intermediate Similarity 0.7402 NPC149545
Intermediate Similarity 0.7398 NPC307425
Intermediate Similarity 0.7391 NPC474821
Intermediate Similarity 0.7388 NPC267064
Intermediate Similarity 0.7385 NPC41851
Intermediate Similarity 0.7381 NPC151530
Intermediate Similarity 0.7381 NPC233320
Intermediate Similarity 0.7381 NPC157473
Intermediate Similarity 0.7376 NPC319969
Intermediate Similarity 0.7372 NPC279118
Intermediate Similarity 0.7364 NPC474920
Intermediate Similarity 0.7364 NPC98372
Intermediate Similarity 0.736 NPC473393
Intermediate Similarity 0.7357 NPC474617
Intermediate Similarity 0.7357 NPC325003
Intermediate Similarity 0.7353 NPC320287
Intermediate Similarity 0.7344 NPC88868
Intermediate Similarity 0.7344 NPC473809
Intermediate Similarity 0.7344 NPC231251
Intermediate Similarity 0.7344 NPC25067
Intermediate Similarity 0.7343 NPC252095
Intermediate Similarity 0.7343 NPC475011
Intermediate Similarity 0.7338 NPC283079
Intermediate Similarity 0.7333 NPC476165
Intermediate Similarity 0.7328 NPC473718
Intermediate Similarity 0.7323 NPC291837
Intermediate Similarity 0.7317 NPC107101
Intermediate Similarity 0.7313 NPC321133
Intermediate Similarity 0.731 NPC265335
Intermediate Similarity 0.7305 NPC258073
Intermediate Similarity 0.7302 NPC326801
Intermediate Similarity 0.7302 NPC326447
Intermediate Similarity 0.7302 NPC176971
Intermediate Similarity 0.7299 NPC61685
Intermediate Similarity 0.7299 NPC248557
Intermediate Similarity 0.7295 NPC470161
Intermediate Similarity 0.7293 NPC139047
Intermediate Similarity 0.7293 NPC206205
Intermediate Similarity 0.7292 NPC318591
Intermediate Similarity 0.7292 NPC115861
Intermediate Similarity 0.7292 NPC265515
Intermediate Similarity 0.7292 NPC231163
Intermediate Similarity 0.7287 NPC245552
Intermediate Similarity 0.7279 NPC469564
Intermediate Similarity 0.7279 NPC204535
Intermediate Similarity 0.7279 NPC46586
Intermediate Similarity 0.7279 NPC325301
Intermediate Similarity 0.7273 NPC211164
Intermediate Similarity 0.7273 NPC27394
Intermediate Similarity 0.7266 NPC95034
Intermediate Similarity 0.7266 NPC142087
Intermediate Similarity 0.726 NPC476191
Intermediate Similarity 0.7259 NPC129176
Intermediate Similarity 0.7254 NPC474635
Intermediate Similarity 0.7254 NPC329427
Intermediate Similarity 0.7254 NPC317601
Intermediate Similarity 0.7246 NPC136112
Intermediate Similarity 0.7246 NPC141739
Intermediate Similarity 0.7246 NPC252962
Intermediate Similarity 0.7241 NPC476171
Intermediate Similarity 0.7241 NPC474540
Intermediate Similarity 0.7241 NPC474530
Intermediate Similarity 0.7241 NPC474521
Intermediate Similarity 0.7239 NPC160235
Intermediate Similarity 0.7234 NPC475880
Intermediate Similarity 0.7234 NPC11089
Intermediate Similarity 0.7231 NPC228452
Intermediate Similarity 0.7226 NPC474130
Intermediate Similarity 0.7226 NPC279379
Intermediate Similarity 0.7222 NPC128730
Intermediate Similarity 0.7222 NPC281169
Intermediate Similarity 0.7222 NPC291119
Intermediate Similarity 0.7222 NPC139891
Intermediate Similarity 0.7214 NPC211179
Intermediate Similarity 0.7214 NPC474616
Intermediate Similarity 0.7214 NPC38604
Intermediate Similarity 0.7211 NPC472523
Intermediate Similarity 0.7203 NPC233018
Intermediate Similarity 0.7203 NPC36437
Intermediate Similarity 0.7203 NPC241341
Intermediate Similarity 0.72 NPC475872
Intermediate Similarity 0.7192 NPC476025
Intermediate Similarity 0.7192 NPC475028
Intermediate Similarity 0.7188 NPC241549
Intermediate Similarity 0.7185 NPC31314
Intermediate Similarity 0.7185 NPC193193
Intermediate Similarity 0.7183 NPC474143
Intermediate Similarity 0.7183 NPC153019
Intermediate Similarity 0.7183 NPC474246
Intermediate Similarity 0.7183 NPC142530
Intermediate Similarity 0.7183 NPC470392
Intermediate Similarity 0.7183 NPC147317
Intermediate Similarity 0.7181 NPC474599
Intermediate Similarity 0.7172 NPC286843
Intermediate Similarity 0.7164 NPC293424
Intermediate Similarity 0.7163 NPC472796
Intermediate Similarity 0.7163 NPC271832
Intermediate Similarity 0.7163 NPC472797
Intermediate Similarity 0.7163 NPC59654
Intermediate Similarity 0.7163 NPC472795
Intermediate Similarity 0.7163 NPC206028
Intermediate Similarity 0.7154 NPC233238
Intermediate Similarity 0.7154 NPC95755
Intermediate Similarity 0.7153 NPC474600
Intermediate Similarity 0.7153 NPC327070
Intermediate Similarity 0.7153 NPC265793
Intermediate Similarity 0.7143 NPC126759
Intermediate Similarity 0.7143 NPC290470
Intermediate Similarity 0.7143 NPC66331
Intermediate Similarity 0.7143 NPC79372
Intermediate Similarity 0.7143 NPC154256
Intermediate Similarity 0.7143 NPC236070
Intermediate Similarity 0.7143 NPC257947
Intermediate Similarity 0.7143 NPC33717
Intermediate Similarity 0.7143 NPC242580
Intermediate Similarity 0.7143 NPC312105
Intermediate Similarity 0.7133 NPC51262
Intermediate Similarity 0.7133 NPC27578
Intermediate Similarity 0.7133 NPC137669
Intermediate Similarity 0.7133 NPC289624
Intermediate Similarity 0.7132 NPC473875
Intermediate Similarity 0.7132 NPC259554
Intermediate Similarity 0.7132 NPC235190
Intermediate Similarity 0.7132 NPC475529
Intermediate Similarity 0.7132 NPC180006
Intermediate Similarity 0.7123 NPC105493
Intermediate Similarity 0.7123 NPC471542
Intermediate Similarity 0.7122 NPC477213
Intermediate Similarity 0.7122 NPC131397
Intermediate Similarity 0.7122 NPC124776
Intermediate Similarity 0.7122 NPC476254
Intermediate Similarity 0.7122 NPC471827
Intermediate Similarity 0.7122 NPC471828
Intermediate Similarity 0.7122 NPC320847

Drug Structure

External Identifiers

TTD   DIB002916
DrugBank   DB09205
ChEMBL   CHEMBL159226
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D08239
PubChem CID  
ChEBI   94754
CAS Number  54-32-0

Drug Properties

Molecular Weight  279.18
ALogP  1.2206
MLogP  2.78
XLogP  3.283
HDA  2
HBD  0
Rotatable Bonds  13
TPSA  38.77
RO5 Violation  0