Drug Information

Drug ID:  NPD2607
Drug Name:  
Molecular Formula:  C17H23NO2
Canonical SMILES:  CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1
Standard InCHI:  InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1
Standard InCHIKey:  WDEFBBTXULIOBB-WBVHZDCISA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2607

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 0.8807 NPC158854
Intermediate Similarity 0.8167 NPC84281
Intermediate Similarity 0.8167 NPC317474
Intermediate Similarity 0.8167 NPC169485
Intermediate Similarity 0.8167 NPC213126
Intermediate Similarity 0.8167 NPC291027
Intermediate Similarity 0.8108 NPC476198
Intermediate Similarity 0.8056 NPC322598
Intermediate Similarity 0.7717 NPC69496
Intermediate Similarity 0.768 NPC474847
Intermediate Similarity 0.7642 NPC9822
Intermediate Similarity 0.7619 NPC65310
Intermediate Similarity 0.7612 NPC475128
Intermediate Similarity 0.7596 NPC294134
Intermediate Similarity 0.7581 NPC26285
Intermediate Similarity 0.7538 NPC233910
Intermediate Similarity 0.7538 NPC245836
Intermediate Similarity 0.7445 NPC260194
Intermediate Similarity 0.7404 NPC288903
Intermediate Similarity 0.7391 NPC473541
Intermediate Similarity 0.7345 NPC12730
Intermediate Similarity 0.7338 NPC94602
Intermediate Similarity 0.7328 NPC67043
Intermediate Similarity 0.7323 NPC285394
Intermediate Similarity 0.7313 NPC281104
Intermediate Similarity 0.7308 NPC323103
Intermediate Similarity 0.728 NPC190663
Intermediate Similarity 0.728 NPC80150
Intermediate Similarity 0.7258 NPC310467
Intermediate Similarity 0.7238 NPC270507
Intermediate Similarity 0.7209 NPC136453
Intermediate Similarity 0.7179 NPC167336
Intermediate Similarity 0.7177 NPC169328
Intermediate Similarity 0.7168 NPC226041
Intermediate Similarity 0.7168 NPC10781
Intermediate Similarity 0.7168 NPC293628
Intermediate Similarity 0.7168 NPC122493
Intermediate Similarity 0.7165 NPC160493
Intermediate Similarity 0.7154 NPC89923
Intermediate Similarity 0.7154 NPC105114
Intermediate Similarity 0.7154 NPC239990
Intermediate Similarity 0.7154 NPC197470
Intermediate Similarity 0.7154 NPC152850
Intermediate Similarity 0.7154 NPC71933
Intermediate Similarity 0.7143 NPC313663
Intermediate Similarity 0.7143 NPC103387
Intermediate Similarity 0.7132 NPC4974
Intermediate Similarity 0.7132 NPC47667
Intermediate Similarity 0.713 NPC322387
Intermediate Similarity 0.7115 NPC121800
Intermediate Similarity 0.7091 NPC70940
Intermediate Similarity 0.7091 NPC86670
Intermediate Similarity 0.7091 NPC274455
Intermediate Similarity 0.7043 NPC7435
Intermediate Similarity 0.7043 NPC221825
Intermediate Similarity 0.7025 NPC319579
Intermediate Similarity 0.7019 NPC170484
Intermediate Similarity 0.7018 NPC270654
Intermediate Similarity 0.7018 NPC324569
Intermediate Similarity 0.7009 NPC164859
Intermediate Similarity 0.7 NPC469636
Remote Similarity 0.6992 NPC157311
Remote Similarity 0.6975 NPC142326
Remote Similarity 0.6975 NPC94751
Remote Similarity 0.6967 NPC329011
Remote Similarity 0.6944 NPC475710
Remote Similarity 0.6942 NPC292758
Remote Similarity 0.6942 NPC65855
Remote Similarity 0.694 NPC246913
Remote Similarity 0.694 NPC44805
Remote Similarity 0.694 NPC8761
Remote Similarity 0.6937 NPC84288
Remote Similarity 0.6935 NPC33742
Remote Similarity 0.6916 NPC285773
Remote Similarity 0.6916 NPC44830
Remote Similarity 0.6911 NPC474584
Remote Similarity 0.6909 NPC329064
Remote Similarity 0.6906 NPC161069
Remote Similarity 0.6897 NPC476042
Remote Similarity 0.6894 NPC210950
Remote Similarity 0.6894 NPC199738
Remote Similarity 0.6891 NPC473418
Remote Similarity 0.6875 NPC478014
Remote Similarity 0.6875 NPC86987
Remote Similarity 0.6875 NPC478015
Remote Similarity 0.6875 NPC478016
Remote Similarity 0.6864 NPC471317
Remote Similarity 0.6857 NPC471516
Remote Similarity 0.6855 NPC276949
Remote Similarity 0.6855 NPC35850
Remote Similarity 0.685 NPC237420
Remote Similarity 0.6847 NPC231591
Remote Similarity 0.6846 NPC35996
Remote Similarity 0.6842 NPC81092
Remote Similarity 0.6842 NPC103605
Remote Similarity 0.6838 NPC264728
Remote Similarity 0.6838 NPC473325
Remote Similarity 0.6838 NPC228400
Remote Similarity 0.6838 NPC214200
Remote Similarity 0.6835 NPC263493
Remote Similarity 0.6835 NPC269398
Remote Similarity 0.6833 NPC191215
Remote Similarity 0.6833 NPC274089
Remote Similarity 0.6833 NPC327481
Remote Similarity 0.6829 NPC269340
Remote Similarity 0.6818 NPC124776
Remote Similarity 0.681 NPC35448
Remote Similarity 0.681 NPC78701
Remote Similarity 0.6803 NPC161827
Remote Similarity 0.68 NPC472164
Remote Similarity 0.6797 NPC204784
Remote Similarity 0.6788 NPC90194
Remote Similarity 0.6788 NPC293377
Remote Similarity 0.6788 NPC476102
Remote Similarity 0.6788 NPC76785
Remote Similarity 0.6788 NPC475318
Remote Similarity 0.6788 NPC49577
Remote Similarity 0.6788 NPC475598
Remote Similarity 0.6788 NPC79465
Remote Similarity 0.6788 NPC273907
Remote Similarity 0.6788 NPC474811
Remote Similarity 0.6788 NPC118099
Remote Similarity 0.6788 NPC151706
Remote Similarity 0.6788 NPC260045
Remote Similarity 0.6788 NPC474855
Remote Similarity 0.6788 NPC9687
Remote Similarity 0.6788 NPC474787
Remote Similarity 0.6786 NPC57976
Remote Similarity 0.6786 NPC197682
Remote Similarity 0.6786 NPC139326
Remote Similarity 0.6774 NPC469547
Remote Similarity 0.6774 NPC128368
Remote Similarity 0.6767 NPC476353
Remote Similarity 0.6757 NPC93343
Remote Similarity 0.6754 NPC71140
Remote Similarity 0.6752 NPC146351
Remote Similarity 0.6746 NPC188010
Remote Similarity 0.6739 NPC478140
Remote Similarity 0.6724 NPC92754
Remote Similarity 0.6724 NPC276775
Remote Similarity 0.6724 NPC249912
Remote Similarity 0.6723 NPC474365
Remote Similarity 0.6723 NPC301943
Remote Similarity 0.6721 NPC17417
Remote Similarity 0.6721 NPC10251
Remote Similarity 0.6719 NPC314992
Remote Similarity 0.6716 NPC213969
Remote Similarity 0.6716 NPC116057
Remote Similarity 0.6716 NPC296712
Remote Similarity 0.6716 NPC472413
Remote Similarity 0.6716 NPC165726
Remote Similarity 0.6714 NPC168113
Remote Similarity 0.6713 NPC328824
Remote Similarity 0.6713 NPC138775
Remote Similarity 0.6711 NPC211525
Remote Similarity 0.6711 NPC153694
Remote Similarity 0.6696 NPC172925
Remote Similarity 0.6696 NPC58674
Remote Similarity 0.6696 NPC220893
Remote Similarity 0.6696 NPC256452
Remote Similarity 0.6695 NPC316797
Remote Similarity 0.6695 NPC136810
Remote Similarity 0.6695 NPC128248
Remote Similarity 0.6695 NPC225079
Remote Similarity 0.6695 NPC42211
Remote Similarity 0.6695 NPC133809
Remote Similarity 0.6694 NPC270699
Remote Similarity 0.6694 NPC82899
Remote Similarity 0.6692 NPC50872
Remote Similarity 0.6692 NPC56634
Remote Similarity 0.669 NPC5620
Remote Similarity 0.669 NPC209509
Remote Similarity 0.6689 NPC476750
Remote Similarity 0.6667 NPC89377
Remote Similarity 0.6667 NPC214067
Remote Similarity 0.6667 NPC148468
Remote Similarity 0.6667 NPC145052
Remote Similarity 0.6667 NPC97380
Remote Similarity 0.6667 NPC473938
Remote Similarity 0.6667 NPC196246
Remote Similarity 0.6667 NPC176226
Remote Similarity 0.6667 NPC243673
Remote Similarity 0.6667 NPC251854
Remote Similarity 0.6667 NPC271475
Remote Similarity 0.6667 NPC63210
Remote Similarity 0.6667 NPC93084
Remote Similarity 0.6667 NPC310403
Remote Similarity 0.6667 NPC225060
Remote Similarity 0.6667 NPC120393
Remote Similarity 0.6667 NPC263709
Remote Similarity 0.6644 NPC29285
Remote Similarity 0.6642 NPC470392
Remote Similarity 0.6642 NPC305717
Remote Similarity 0.6641 NPC142577
Remote Similarity 0.6641 NPC45794
Remote Similarity 0.6639 NPC56493
Remote Similarity 0.6638 NPC469893
Remote Similarity 0.6637 NPC213156
Remote Similarity 0.6637 NPC240108
Remote Similarity 0.6636 NPC127343

Drug Structure

External Identifiers

TTD   DIB002326
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  273.17
ALogP  0.845
MLogP  3
XLogP  4.545
HDA  3
HBD  0
Rotatable Bonds  8
TPSA  29.54
RO5 Violation  0