Drug Information

Drug ID:  NPD1358
Drug Name:  Cinoxate
Molecular Formula:  C14H18O4
Canonical SMILES:  CCOCCOC(=O)/C=C/c1ccc(cc1)OC
Standard InCHI:  InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+
Standard InCHIKey:  CMDKPGRTAQVGFQ-RMKNXTFCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1358

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 0.9596 NPC179686
High Similarity 0.9505 NPC176971
High Similarity 0.9505 NPC326447
High Similarity 0.9412 NPC157473
High Similarity 0.9412 NPC151530
High Similarity 0.9406 NPC128730
High Similarity 0.9307 NPC109637
High Similarity 0.9118 NPC283546
High Similarity 0.9118 NPC2518
High Similarity 0.9029 NPC473855
High Similarity 0.901 NPC13755
High Similarity 0.9 NPC277460
High Similarity 0.9 NPC175298
High Similarity 0.8919 NPC37858
High Similarity 0.8846 NPC238115
High Similarity 0.8824 NPC107101
High Similarity 0.8807 NPC294941
High Similarity 0.8785 NPC473809
High Similarity 0.8774 NPC291837
High Similarity 0.8761 NPC204466
High Similarity 0.8738 NPC307425
High Similarity 0.8684 NPC114845
High Similarity 0.8684 NPC70752
High Similarity 0.8673 NPC202474
High Similarity 0.8667 NPC473393
High Similarity 0.8667 NPC288760
High Similarity 0.8667 NPC227255
High Similarity 0.8661 NPC124916
High Similarity 0.8654 NPC304638
High Similarity 0.8624 NPC199462
High Similarity 0.8611 NPC88868
High Similarity 0.8611 NPC25067
High Similarity 0.8611 NPC179309
High Similarity 0.8611 NPC231251
High Similarity 0.8609 NPC288238
High Similarity 0.8584 NPC69670
High Similarity 0.8571 NPC212643
High Similarity 0.8571 NPC199209
High Similarity 0.8558 NPC84325
High Similarity 0.8532 NPC245552
High Similarity 0.8509 NPC222175
Intermediate Similarity 0.8496 NPC107588
Intermediate Similarity 0.8496 NPC137537
Intermediate Similarity 0.8496 NPC272471
Intermediate Similarity 0.8496 NPC164706
Intermediate Similarity 0.8496 NPC293424
Intermediate Similarity 0.8496 NPC159916
Intermediate Similarity 0.8496 NPC70744
Intermediate Similarity 0.8491 NPC127676
Intermediate Similarity 0.8485 NPC8002
Intermediate Similarity 0.8485 NPC99886
Intermediate Similarity 0.8485 NPC259134
Intermediate Similarity 0.8485 NPC177844
Intermediate Similarity 0.8462 NPC246704
Intermediate Similarity 0.8462 NPC146886
Intermediate Similarity 0.8462 NPC60517
Intermediate Similarity 0.8462 NPC253746
Intermediate Similarity 0.8462 NPC20443
Intermediate Similarity 0.8435 NPC471877
Intermediate Similarity 0.8435 NPC163200
Intermediate Similarity 0.8411 NPC1065
Intermediate Similarity 0.84 NPC71853
Intermediate Similarity 0.8393 NPC296526
Intermediate Similarity 0.839 NPC27352
Intermediate Similarity 0.839 NPC289459
Intermediate Similarity 0.8381 NPC51633
Intermediate Similarity 0.8378 NPC303522
Intermediate Similarity 0.8376 NPC21238
Intermediate Similarity 0.8365 NPC471576
Intermediate Similarity 0.8365 NPC171843
Intermediate Similarity 0.8362 NPC193484
Intermediate Similarity 0.8349 NPC149545
Intermediate Similarity 0.8348 NPC2058
Intermediate Similarity 0.8333 NPC471581
Intermediate Similarity 0.8333 NPC101503
Intermediate Similarity 0.8333 NPC258171
Intermediate Similarity 0.8333 NPC260952
Intermediate Similarity 0.8319 NPC127604
Intermediate Similarity 0.8319 NPC120225
Intermediate Similarity 0.8319 NPC213552
Intermediate Similarity 0.8319 NPC268317
Intermediate Similarity 0.8318 NPC139891
Intermediate Similarity 0.8317 NPC321956
Intermediate Similarity 0.8304 NPC261453
Intermediate Similarity 0.8304 NPC33749
Intermediate Similarity 0.8304 NPC328593
Intermediate Similarity 0.8302 NPC192596
Intermediate Similarity 0.8276 NPC267064
Intermediate Similarity 0.8276 NPC235190
Intermediate Similarity 0.8276 NPC180006
Intermediate Similarity 0.8273 NPC46844
Intermediate Similarity 0.8273 NPC183700
Intermediate Similarity 0.8261 NPC57501
Intermediate Similarity 0.8261 NPC98748
Intermediate Similarity 0.8261 NPC298796
Intermediate Similarity 0.8261 NPC281356
Intermediate Similarity 0.8257 NPC206341
Intermediate Similarity 0.8246 NPC185738
Intermediate Similarity 0.8246 NPC280001
Intermediate Similarity 0.8235 NPC85830
Intermediate Similarity 0.823 NPC233669
Intermediate Similarity 0.823 NPC474967
Intermediate Similarity 0.823 NPC220540
Intermediate Similarity 0.8224 NPC108875
Intermediate Similarity 0.8224 NPC38079
Intermediate Similarity 0.8214 NPC95381
Intermediate Similarity 0.8214 NPC90903
Intermediate Similarity 0.8208 NPC310905
Intermediate Similarity 0.8208 NPC12714
Intermediate Similarity 0.8205 NPC310373
Intermediate Similarity 0.8198 NPC139946
Intermediate Similarity 0.8198 NPC57879
Intermediate Similarity 0.819 NPC100870
Intermediate Similarity 0.8182 NPC234639
Intermediate Similarity 0.8182 NPC109275
Intermediate Similarity 0.8182 NPC110313
Intermediate Similarity 0.8182 NPC259554
Intermediate Similarity 0.8174 NPC152306
Intermediate Similarity 0.8174 NPC265547
Intermediate Similarity 0.8158 NPC111225
Intermediate Similarity 0.8158 NPC470860
Intermediate Similarity 0.8158 NPC281277
Intermediate Similarity 0.8148 NPC470393
Intermediate Similarity 0.8142 NPC252004
Intermediate Similarity 0.8142 NPC217472
Intermediate Similarity 0.8142 NPC235250
Intermediate Similarity 0.8142 NPC87563
Intermediate Similarity 0.8131 NPC298224
Intermediate Similarity 0.8125 NPC266116
Intermediate Similarity 0.812 NPC322569
Intermediate Similarity 0.8115 NPC83062
Intermediate Similarity 0.8115 NPC48315
Intermediate Similarity 0.8108 NPC183648
Intermediate Similarity 0.8103 NPC264976
Intermediate Similarity 0.8099 NPC473993
Intermediate Similarity 0.8099 NPC194841
Intermediate Similarity 0.8087 NPC217423
Intermediate Similarity 0.8087 NPC45104
Intermediate Similarity 0.8087 NPC183154
Intermediate Similarity 0.8087 NPC65791
Intermediate Similarity 0.8087 NPC39793
Intermediate Similarity 0.8087 NPC263754
Intermediate Similarity 0.8067 NPC108545
Intermediate Similarity 0.8067 NPC109675
Intermediate Similarity 0.8067 NPC279379
Intermediate Similarity 0.8067 NPC472518
Intermediate Similarity 0.8067 NPC273772
Intermediate Similarity 0.8056 NPC292792
Intermediate Similarity 0.8056 NPC38209
Intermediate Similarity 0.8049 NPC19242
Intermediate Similarity 0.8037 NPC94343
Intermediate Similarity 0.8036 NPC55300
Intermediate Similarity 0.8036 NPC23332
Intermediate Similarity 0.8036 NPC226250
Intermediate Similarity 0.8034 NPC31314
Intermediate Similarity 0.8034 NPC193193
Intermediate Similarity 0.802 NPC173443
Intermediate Similarity 0.8018 NPC471954
Intermediate Similarity 0.8018 NPC75272
Intermediate Similarity 0.8017 NPC96705
Intermediate Similarity 0.8017 NPC309434
Intermediate Similarity 0.8017 NPC329272
Intermediate Similarity 0.8017 NPC205502
Intermediate Similarity 0.8017 NPC203124
Intermediate Similarity 0.8 NPC227894
Intermediate Similarity 0.8 NPC128633
Intermediate Similarity 0.8 NPC73413
Intermediate Similarity 0.8 NPC201667
Intermediate Similarity 0.8 NPC221798
Intermediate Similarity 0.8 NPC27671
Intermediate Similarity 0.7984 NPC29734
Intermediate Similarity 0.7983 NPC96286
Intermediate Similarity 0.7983 NPC248429
Intermediate Similarity 0.7983 NPC291189
Intermediate Similarity 0.7983 NPC69403
Intermediate Similarity 0.7983 NPC256167
Intermediate Similarity 0.7981 NPC32977
Intermediate Similarity 0.7981 NPC81010
Intermediate Similarity 0.7967 NPC295970
Intermediate Similarity 0.7966 NPC224814
Intermediate Similarity 0.7966 NPC189844
Intermediate Similarity 0.7966 NPC60962
Intermediate Similarity 0.7966 NPC14007
Intermediate Similarity 0.7966 NPC109083
Intermediate Similarity 0.7966 NPC269843
Intermediate Similarity 0.7965 NPC165646
Intermediate Similarity 0.7963 NPC305205
Intermediate Similarity 0.7951 NPC224774
Intermediate Similarity 0.7951 NPC121740
Intermediate Similarity 0.7951 NPC258567
Intermediate Similarity 0.7949 NPC61779
Intermediate Similarity 0.7946 NPC137685
Intermediate Similarity 0.7934 NPC300326
Intermediate Similarity 0.7934 NPC280767
Intermediate Similarity 0.7934 NPC58279
Intermediate Similarity 0.7931 NPC122117
Intermediate Similarity 0.7925 NPC140619
Intermediate Similarity 0.792 NPC137669
Intermediate Similarity 0.792 NPC14248
Intermediate Similarity 0.792 NPC5423

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  250.12
ALogP  0.44
MLogP  2.56
XLogP  2.959
HDA  3
HBD  0
Rotatable Bonds  10
TPSA  44.76
RO5 Violation  0