Drug Information

Drug ID:  NPD290
Drug Name:  Mephenesin
Molecular Formula:  C10H14O3
Canonical SMILES:  OCC(COc1ccccc1C)O
Standard InCHI:  InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
Standard InCHIKey:  JWDYCNIAQWPBHD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD290

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 NPC194034
High Similarity 0.9143 NPC46844
High Similarity 0.8932 NPC108875
High Similarity 0.8932 NPC38079
High Similarity 0.8846 NPC470393
High Similarity 0.8818 NPC290470
High Similarity 0.8818 NPC154256
High Similarity 0.8796 NPC115379
High Similarity 0.8738 NPC51633
High Similarity 0.8725 NPC100870
High Similarity 0.8716 NPC301735
High Similarity 0.8679 NPC251306
High Similarity 0.8667 NPC8302
High Similarity 0.8661 NPC329980
High Similarity 0.8654 NPC192596
High Similarity 0.8627 NPC95755
High Similarity 0.8598 NPC241549
High Similarity 0.8596 NPC473875
High Similarity 0.8586 NPC318429
High Similarity 0.8522 NPC226712
Intermediate Similarity 0.8496 NPC283616
Intermediate Similarity 0.8476 NPC305205
Intermediate Similarity 0.8468 NPC161696
Intermediate Similarity 0.8435 NPC475529
Intermediate Similarity 0.8393 NPC301321
Intermediate Similarity 0.8364 NPC55300
Intermediate Similarity 0.8364 NPC195873
Intermediate Similarity 0.8349 NPC474272
Intermediate Similarity 0.8333 NPC101503
Intermediate Similarity 0.8304 NPC470837
Intermediate Similarity 0.8304 NPC235250
Intermediate Similarity 0.8288 NPC165646
Intermediate Similarity 0.8276 NPC469412
Intermediate Similarity 0.8276 NPC269242
Intermediate Similarity 0.8276 NPC198734
Intermediate Similarity 0.8273 NPC137685
Intermediate Similarity 0.8261 NPC163036
Intermediate Similarity 0.8235 NPC470510
Intermediate Similarity 0.8235 NPC207179
Intermediate Similarity 0.8235 NPC167571
Intermediate Similarity 0.8235 NPC278552
Intermediate Similarity 0.822 NPC474130
Intermediate Similarity 0.8208 NPC84325
Intermediate Similarity 0.8198 NPC139617
Intermediate Similarity 0.8198 NPC78918
Intermediate Similarity 0.819 NPC60589
Intermediate Similarity 0.819 NPC471576
Intermediate Similarity 0.819 NPC193193
Intermediate Similarity 0.819 NPC469708
Intermediate Similarity 0.8182 NPC149545
Intermediate Similarity 0.8165 NPC227894
Intermediate Similarity 0.8165 NPC233320
Intermediate Similarity 0.8165 NPC258171
Intermediate Similarity 0.8151 NPC293701
Intermediate Similarity 0.8151 NPC48990
Intermediate Similarity 0.8151 NPC114901
Intermediate Similarity 0.8148 NPC227255
Intermediate Similarity 0.8148 NPC473855
Intermediate Similarity 0.8137 NPC321956
Intermediate Similarity 0.8136 NPC120638
Intermediate Similarity 0.8136 NPC46586
Intermediate Similarity 0.8136 NPC204535
Intermediate Similarity 0.8136 NPC71090
Intermediate Similarity 0.8125 NPC474920
Intermediate Similarity 0.8125 NPC266116
Intermediate Similarity 0.8119 NPC99886
Intermediate Similarity 0.8119 NPC177844
Intermediate Similarity 0.8119 NPC8002
Intermediate Similarity 0.8119 NPC259134
Intermediate Similarity 0.8115 NPC97326
Intermediate Similarity 0.8108 NPC106141
Intermediate Similarity 0.8108 NPC141068
Intermediate Similarity 0.8103 NPC311595
Intermediate Similarity 0.8103 NPC24474
Intermediate Similarity 0.8103 NPC135961
Intermediate Similarity 0.8099 NPC469386
Intermediate Similarity 0.8087 NPC142042
Intermediate Similarity 0.8087 NPC164386
Intermediate Similarity 0.8083 NPC141739
Intermediate Similarity 0.8083 NPC136112
Intermediate Similarity 0.8073 NPC326801
Intermediate Similarity 0.8056 NPC283546
Intermediate Similarity 0.8056 NPC130817
Intermediate Similarity 0.8051 NPC290451
Intermediate Similarity 0.8051 NPC127389
Intermediate Similarity 0.8051 NPC212965
Intermediate Similarity 0.8051 NPC470804
Intermediate Similarity 0.8049 NPC474491
Intermediate Similarity 0.8039 NPC71853
Intermediate Similarity 0.8039 NPC47950
Intermediate Similarity 0.8036 NPC257124
Intermediate Similarity 0.8036 NPC173746
Intermediate Similarity 0.8036 NPC8547
Intermediate Similarity 0.8036 NPC156840
Intermediate Similarity 0.8034 NPC35071
Intermediate Similarity 0.8034 NPC8283
Intermediate Similarity 0.8034 NPC31314
Intermediate Similarity 0.8034 NPC177475
Intermediate Similarity 0.8034 NPC232295
Intermediate Similarity 0.8034 NPC148615
Intermediate Similarity 0.8034 NPC258979
Intermediate Similarity 0.8034 NPC93398
Intermediate Similarity 0.8033 NPC146540
Intermediate Similarity 0.8033 NPC222572
Intermediate Similarity 0.8033 NPC40377
Intermediate Similarity 0.8033 NPC19694
Intermediate Similarity 0.8033 NPC87224
Intermediate Similarity 0.8019 NPC314803
Intermediate Similarity 0.8018 NPC36108
Intermediate Similarity 0.8018 NPC233731
Intermediate Similarity 0.8018 NPC7097
Intermediate Similarity 0.8018 NPC246358
Intermediate Similarity 0.8017 NPC474214
Intermediate Similarity 0.8017 NPC74821
Intermediate Similarity 0.8017 NPC212743
Intermediate Similarity 0.8017 NPC255675
Intermediate Similarity 0.8 NPC33717
Intermediate Similarity 0.8 NPC221049
Intermediate Similarity 0.8 NPC94276
Intermediate Similarity 0.8 NPC109822
Intermediate Similarity 0.7984 NPC103799
Intermediate Similarity 0.7984 NPC29734
Intermediate Similarity 0.7983 NPC188997
Intermediate Similarity 0.7983 NPC100099
Intermediate Similarity 0.7983 NPC476142
Intermediate Similarity 0.7983 NPC209567
Intermediate Similarity 0.7983 NPC36016
Intermediate Similarity 0.7982 NPC128730
Intermediate Similarity 0.7966 NPC96423
Intermediate Similarity 0.7951 NPC474119
Intermediate Similarity 0.7951 NPC163332
Intermediate Similarity 0.7951 NPC41706
Intermediate Similarity 0.7951 NPC473993
Intermediate Similarity 0.7951 NPC118787
Intermediate Similarity 0.7951 NPC183181
Intermediate Similarity 0.7951 NPC111247
Intermediate Similarity 0.7951 NPC292056
Intermediate Similarity 0.7951 NPC147821
Intermediate Similarity 0.7951 NPC319625
Intermediate Similarity 0.7949 NPC474320
Intermediate Similarity 0.7949 NPC320987
Intermediate Similarity 0.7949 NPC32152
Intermediate Similarity 0.7949 NPC295259
Intermediate Similarity 0.7949 NPC181969
Intermediate Similarity 0.7946 NPC88868
Intermediate Similarity 0.7946 NPC231251
Intermediate Similarity 0.7946 NPC25067
Intermediate Similarity 0.7944 NPC107101
Intermediate Similarity 0.7934 NPC131397
Intermediate Similarity 0.7934 NPC194519
Intermediate Similarity 0.7934 NPC476254
Intermediate Similarity 0.7934 NPC81641
Intermediate Similarity 0.7928 NPC291837
Intermediate Similarity 0.7917 NPC38761
Intermediate Similarity 0.7917 NPC76465
Intermediate Similarity 0.7917 NPC261992
Intermediate Similarity 0.7913 NPC473718
Intermediate Similarity 0.7909 NPC113457
Intermediate Similarity 0.7909 NPC135464
Intermediate Similarity 0.7909 NPC92623
Intermediate Similarity 0.7909 NPC176971
Intermediate Similarity 0.7903 NPC113098
Intermediate Similarity 0.7899 NPC343720
Intermediate Similarity 0.7899 NPC312675
Intermediate Similarity 0.7899 NPC54872
Intermediate Similarity 0.7899 NPC97432
Intermediate Similarity 0.7899 NPC113865
Intermediate Similarity 0.7899 NPC324571
Intermediate Similarity 0.7899 NPC476343
Intermediate Similarity 0.7899 NPC184651
Intermediate Similarity 0.7899 NPC262156
Intermediate Similarity 0.7899 NPC473853
Intermediate Similarity 0.7899 NPC190454
Intermediate Similarity 0.7899 NPC470212
Intermediate Similarity 0.7895 NPC90903
Intermediate Similarity 0.789 NPC292792
Intermediate Similarity 0.789 NPC474603
Intermediate Similarity 0.789 NPC12987
Intermediate Similarity 0.7885 NPC138117
Intermediate Similarity 0.7885 NPC325292
Intermediate Similarity 0.7881 NPC474131
Intermediate Similarity 0.7876 NPC275627
Intermediate Similarity 0.7876 NPC266932
Intermediate Similarity 0.787 NPC12714
Intermediate Similarity 0.787 NPC307425
Intermediate Similarity 0.787 NPC310905
Intermediate Similarity 0.7869 NPC58607
Intermediate Similarity 0.7869 NPC191037
Intermediate Similarity 0.7869 NPC276212
Intermediate Similarity 0.7869 NPC178284
Intermediate Similarity 0.7857 NPC475840
Intermediate Similarity 0.7857 NPC263064
Intermediate Similarity 0.7851 NPC246648
Intermediate Similarity 0.7851 NPC197351
Intermediate Similarity 0.7851 NPC287429
Intermediate Similarity 0.7851 NPC106914
Intermediate Similarity 0.7851 NPC134195
Intermediate Similarity 0.7851 NPC86502
Intermediate Similarity 0.785 NPC132725
Intermediate Similarity 0.784 NPC267336

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  182.09
ALogP  -0.4599
MLogP  2.23
XLogP  1.294
HDA  2
HBD  2
Rotatable Bonds  7
TPSA  49.69
RO5 Violation  0