Drug Information

Drug ID:  NPD2648
Drug Name:  Eperisone
Molecular Formula:  C17H25NO
Canonical SMILES:  CCc1ccc(cc1)C(=O)C(CN1CCCCC1)C
Standard InCHI:  InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
Standard InCHIKey:  SQUNAWUMZGQQJD-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2648

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 0.91 NPC167336
Intermediate Similarity 0.8041 NPC69057
Intermediate Similarity 0.7979 NPC145053
Intermediate Similarity 0.7872 NPC190567
Intermediate Similarity 0.7822 NPC153885
Intermediate Similarity 0.7745 NPC246757
Intermediate Similarity 0.7745 NPC291070
Intermediate Similarity 0.7745 NPC238219
Intermediate Similarity 0.7723 NPC133461
Intermediate Similarity 0.7684 NPC285716
Intermediate Similarity 0.7684 NPC17408
Intermediate Similarity 0.7677 NPC17497
Intermediate Similarity 0.7677 NPC305602
Intermediate Similarity 0.767 NPC260233
Intermediate Similarity 0.767 NPC256452
Intermediate Similarity 0.766 NPC2785
Intermediate Similarity 0.766 NPC36342
Intermediate Similarity 0.766 NPC285470
Intermediate Similarity 0.7647 NPC285394
Intermediate Similarity 0.7647 NPC1682
Intermediate Similarity 0.7647 NPC188844
Intermediate Similarity 0.7647 NPC155232
Intermediate Similarity 0.7647 NPC323420
Intermediate Similarity 0.7604 NPC273033
Intermediate Similarity 0.7604 NPC12936
Intermediate Similarity 0.7596 NPC219573
Intermediate Similarity 0.7596 NPC185208
Intermediate Similarity 0.7579 NPC300205
Intermediate Similarity 0.7576 NPC160339
Intermediate Similarity 0.7576 NPC307
Intermediate Similarity 0.7553 NPC245966
Intermediate Similarity 0.7549 NPC284475
Intermediate Similarity 0.7524 NPC239185
Intermediate Similarity 0.75 NPC71664
Intermediate Similarity 0.75 NPC164086
Intermediate Similarity 0.7476 NPC59677
Intermediate Similarity 0.7475 NPC252067
Intermediate Similarity 0.7474 NPC103488
Intermediate Similarity 0.7458 NPC27833
Intermediate Similarity 0.7453 NPC134882
Intermediate Similarity 0.7453 NPC49994
Intermediate Similarity 0.7453 NPC75724
Intermediate Similarity 0.7451 NPC277277
Intermediate Similarity 0.7451 NPC173413
Intermediate Similarity 0.7449 NPC273758
Intermediate Similarity 0.7449 NPC197581
Intermediate Similarity 0.7426 NPC157778
Intermediate Similarity 0.7396 NPC151405
Intermediate Similarity 0.7396 NPC139901
Intermediate Similarity 0.7373 NPC291962
Intermediate Similarity 0.7373 NPC177684
Intermediate Similarity 0.7364 NPC473418
Intermediate Similarity 0.7358 NPC265220
Intermediate Similarity 0.7327 NPC43945
Intermediate Similarity 0.7317 NPC305717
Intermediate Similarity 0.7315 NPC109514
Intermediate Similarity 0.7315 NPC476993
Intermediate Similarity 0.7311 NPC161956
Intermediate Similarity 0.7311 NPC112373
Intermediate Similarity 0.7311 NPC258531
Intermediate Similarity 0.7257 NPC158854
Intermediate Similarity 0.7255 NPC267262
Intermediate Similarity 0.7245 NPC100039
Intermediate Similarity 0.7241 NPC113099
Intermediate Similarity 0.7238 NPC289883
Intermediate Similarity 0.7227 NPC226143
Intermediate Similarity 0.7188 NPC9796
Intermediate Similarity 0.7182 NPC247976
Intermediate Similarity 0.7154 NPC79698
Intermediate Similarity 0.7143 NPC95868
Intermediate Similarity 0.7128 NPC285679
Intermediate Similarity 0.7115 NPC19256
Intermediate Similarity 0.7115 NPC58872
Intermediate Similarity 0.7107 NPC257490
Intermediate Similarity 0.71 NPC215008
Intermediate Similarity 0.7087 NPC153308
Intermediate Similarity 0.708 NPC55529
Intermediate Similarity 0.7075 NPC71140
Intermediate Similarity 0.7071 NPC73978
Intermediate Similarity 0.7049 NPC26285
Intermediate Similarity 0.7041 NPC272260
Intermediate Similarity 0.7027 NPC475939
Intermediate Similarity 0.7027 NPC471829
Intermediate Similarity 0.7027 NPC472691
Intermediate Similarity 0.7027 NPC474866
Intermediate Similarity 0.7021 NPC74458
Intermediate Similarity 0.7019 NPC418308
Intermediate Similarity 0.7019 NPC298115
Intermediate Similarity 0.7019 NPC113307
Intermediate Similarity 0.7009 NPC472880
Remote Similarity 0.6991 NPC45033
Remote Similarity 0.6991 NPC100767
Remote Similarity 0.6981 NPC473661
Remote Similarity 0.6972 NPC322598
Remote Similarity 0.697 NPC477703
Remote Similarity 0.697 NPC157055
Remote Similarity 0.6964 NPC329282
Remote Similarity 0.6952 NPC110420
Remote Similarity 0.6952 NPC67585
Remote Similarity 0.6952 NPC303967
Remote Similarity 0.6947 NPC281104
Remote Similarity 0.6939 NPC137847
Remote Similarity 0.6939 NPC76455
Remote Similarity 0.6931 NPC324624
Remote Similarity 0.6931 NPC149263
Remote Similarity 0.6931 NPC39600
Remote Similarity 0.6915 NPC95289
Remote Similarity 0.6911 NPC291027
Remote Similarity 0.6911 NPC213126
Remote Similarity 0.6911 NPC169485
Remote Similarity 0.6911 NPC84281
Remote Similarity 0.6911 NPC317474
Remote Similarity 0.69 NPC231986
Remote Similarity 0.6893 NPC164526
Remote Similarity 0.6891 NPC473573
Remote Similarity 0.6887 NPC103346
Remote Similarity 0.6885 NPC279385
Remote Similarity 0.6885 NPC179605
Remote Similarity 0.6881 NPC240042
Remote Similarity 0.688 NPC470343
Remote Similarity 0.688 NPC472244
Remote Similarity 0.6875 NPC202613
Remote Similarity 0.6875 NPC126458
Remote Similarity 0.687 NPC470252
Remote Similarity 0.6847 NPC472879
Remote Similarity 0.6842 NPC472700
Remote Similarity 0.6842 NPC472699
Remote Similarity 0.6837 NPC329318
Remote Similarity 0.6837 NPC179726
Remote Similarity 0.6832 NPC230068
Remote Similarity 0.6829 NPC103292
Remote Similarity 0.6825 NPC119326
Remote Similarity 0.6822 NPC473962
Remote Similarity 0.6809 NPC98880
Remote Similarity 0.6807 NPC472164
Remote Similarity 0.6797 NPC179224
Remote Similarity 0.6796 NPC123476
Remote Similarity 0.6783 NPC472695
Remote Similarity 0.6783 NPC472683
Remote Similarity 0.6783 NPC472701
Remote Similarity 0.6783 NPC472696
Remote Similarity 0.6783 NPC172170
Remote Similarity 0.6774 NPC39818
Remote Similarity 0.6774 NPC268534
Remote Similarity 0.6765 NPC104070
Remote Similarity 0.6762 NPC473345
Remote Similarity 0.6759 NPC474974
Remote Similarity 0.6752 NPC265513
Remote Similarity 0.6735 NPC78500
Remote Similarity 0.6729 NPC470926
Remote Similarity 0.6726 NPC471317
Remote Similarity 0.6726 NPC329556
Remote Similarity 0.6719 NPC150863
Remote Similarity 0.6702 NPC311343
Remote Similarity 0.6698 NPC325709
Remote Similarity 0.6695 NPC280789
Remote Similarity 0.6695 NPC292834
Remote Similarity 0.6667 NPC298023
Remote Similarity 0.6667 NPC280807
Remote Similarity 0.6667 NPC314431
Remote Similarity 0.6667 NPC246904
Remote Similarity 0.6667 NPC472245
Remote Similarity 0.6667 NPC145052
Remote Similarity 0.6641 NPC313663
Remote Similarity 0.6639 NPC93287
Remote Similarity 0.6639 NPC470253
Remote Similarity 0.6637 NPC25458
Remote Similarity 0.661 NPC474057
Remote Similarity 0.6609 NPC172483
Remote Similarity 0.6609 NPC474910
Remote Similarity 0.6609 NPC476198
Remote Similarity 0.6604 NPC477693
Remote Similarity 0.6604 NPC477704
Remote Similarity 0.6602 NPC474088
Remote Similarity 0.6583 NPC471721
Remote Similarity 0.6583 NPC326664
Remote Similarity 0.6583 NPC57051
Remote Similarity 0.6579 NPC274443
Remote Similarity 0.6577 NPC472788
Remote Similarity 0.6574 NPC125226
Remote Similarity 0.6566 NPC271642
Remote Similarity 0.6555 NPC218855
Remote Similarity 0.6542 NPC231591
Remote Similarity 0.6538 NPC69496
Remote Similarity 0.6531 NPC208075
Remote Similarity 0.6529 NPC474095
Remote Similarity 0.6529 NPC215419
Remote Similarity 0.6529 NPC33742
Remote Similarity 0.6514 NPC77273
Remote Similarity 0.65 NPC471481
Remote Similarity 0.65 NPC143768
Remote Similarity 0.6491 NPC222390
Remote Similarity 0.6491 NPC244427
Remote Similarity 0.6491 NPC304873
Remote Similarity 0.6486 NPC12695
Remote Similarity 0.6484 NPC474847
Remote Similarity 0.6481 NPC86670
Remote Similarity 0.6481 NPC274455
Remote Similarity 0.6481 NPC70940
Remote Similarity 0.6475 NPC188010

Drug Structure

External Identifiers

TTD   DIB001782
DrugBank   DB08992
ChEMBL   CHEMBL1902981
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01671
PubChem CID  
ChEBI   77070
CAS Number  64840-90-0

Drug Properties

Molecular Weight  259.19
ALogP  -0.4781
MLogP  3.11
XLogP  4.663
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  20.31
RO5 Violation  0