Drug Information

Drug ID:  NPD2201
Drug Name:  
Molecular Formula:  C16H23NO2
Canonical SMILES:  CCC(=O)OC1(CCN(CC1C)C)c1ccccc1
Standard InCHI:  InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3
Standard InCHIKey:  UVAZQQHAVMNMHE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2201

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
Intermediate Similarity 0.8 NPC26285
Intermediate Similarity 0.7965 NPC158854
Intermediate Similarity 0.7727 NPC316797
Intermediate Similarity 0.7705 NPC213126
Intermediate Similarity 0.7705 NPC84281
Intermediate Similarity 0.7705 NPC317474
Intermediate Similarity 0.7705 NPC169485
Intermediate Similarity 0.7705 NPC291027
Intermediate Similarity 0.7692 NPC281104
Intermediate Similarity 0.7652 NPC65855
Intermediate Similarity 0.7652 NPC292758
Intermediate Similarity 0.7619 NPC220893
Intermediate Similarity 0.76 NPC65310
Intermediate Similarity 0.7541 NPC321133
Intermediate Similarity 0.7524 NPC304760
Intermediate Similarity 0.75 NPC24777
Intermediate Similarity 0.7429 NPC89377
Intermediate Similarity 0.7422 NPC283079
Intermediate Similarity 0.7404 NPC58616
Intermediate Similarity 0.7385 NPC313663
Intermediate Similarity 0.7373 NPC269340
Intermediate Similarity 0.7321 NPC325497
Intermediate Similarity 0.729 NPC173443
Intermediate Similarity 0.7287 NPC69496
Intermediate Similarity 0.7203 NPC273837
Intermediate Similarity 0.72 NPC316896
Intermediate Similarity 0.7167 NPC128368
Intermediate Similarity 0.7165 NPC285394
Intermediate Similarity 0.7156 NPC119631
Intermediate Similarity 0.7143 NPC95429
Intermediate Similarity 0.7121 NPC245836
Intermediate Similarity 0.7121 NPC233910
Intermediate Similarity 0.7115 NPC103387
Intermediate Similarity 0.7109 NPC474847
Intermediate Similarity 0.708 NPC322598
Intermediate Similarity 0.7064 NPC213156
Intermediate Similarity 0.7064 NPC240108
Intermediate Similarity 0.7063 NPC476184
Intermediate Similarity 0.7063 NPC476281
Intermediate Similarity 0.7049 NPC221275
Intermediate Similarity 0.7048 NPC270507
Intermediate Similarity 0.7027 NPC23453
Intermediate Similarity 0.7018 NPC472318
Intermediate Similarity 0.7018 NPC98911
Intermediate Similarity 0.7018 NPC146351
Intermediate Similarity 0.7016 NPC45794
Intermediate Similarity 0.7009 NPC209632
Intermediate Similarity 0.7 NPC210089
Remote Similarity 0.6991 NPC325499
Remote Similarity 0.6984 NPC476183
Remote Similarity 0.6983 NPC474365
Remote Similarity 0.6983 NPC301943
Remote Similarity 0.6983 NPC234305
Remote Similarity 0.6975 NPC469636
Remote Similarity 0.6964 NPC5472
Remote Similarity 0.696 NPC254233
Remote Similarity 0.6957 NPC214200
Remote Similarity 0.6957 NPC228400
Remote Similarity 0.6953 NPC476278
Remote Similarity 0.6952 NPC323103
Remote Similarity 0.6949 NPC472315
Remote Similarity 0.6949 NPC475203
Remote Similarity 0.6949 NPC474376
Remote Similarity 0.6949 NPC472316
Remote Similarity 0.6947 NPC103605
Remote Similarity 0.6947 NPC81092
Remote Similarity 0.6944 NPC96625
Remote Similarity 0.6942 NPC270699
Remote Similarity 0.6942 NPC82899
Remote Similarity 0.693 NPC35448
Remote Similarity 0.693 NPC78701
Remote Similarity 0.693 NPC225060
Remote Similarity 0.6923 NPC124776
Remote Similarity 0.6923 NPC114594
Remote Similarity 0.6923 NPC85977
Remote Similarity 0.6923 NPC328178
Remote Similarity 0.6923 NPC121800
Remote Similarity 0.6917 NPC196246
Remote Similarity 0.6917 NPC214067
Remote Similarity 0.6916 NPC475710
Remote Similarity 0.6911 NPC210092
Remote Similarity 0.6909 NPC84288
Remote Similarity 0.6899 NPC476260
Remote Similarity 0.6899 NPC476241
Remote Similarity 0.6897 NPC318154
Remote Similarity 0.6875 NPC160493
Remote Similarity 0.6864 NPC476198
Remote Similarity 0.686 NPC474157
Remote Similarity 0.686 NPC305912
Remote Similarity 0.686 NPC1082
Remote Similarity 0.6846 NPC476179
Remote Similarity 0.6846 NPC476125
Remote Similarity 0.6842 NPC249912
Remote Similarity 0.6842 NPC92754
Remote Similarity 0.6842 NPC276775
Remote Similarity 0.6833 NPC269023
Remote Similarity 0.6833 NPC83628
Remote Similarity 0.6833 NPC99846
Remote Similarity 0.6833 NPC265407
Remote Similarity 0.6833 NPC17417
Remote Similarity 0.6833 NPC10251
Remote Similarity 0.6829 NPC307651
Remote Similarity 0.6827 NPC170484
Remote Similarity 0.6815 NPC325568
Remote Similarity 0.6814 NPC130398
Remote Similarity 0.681 NPC42211
Remote Similarity 0.681 NPC469481
Remote Similarity 0.6807 NPC37622
Remote Similarity 0.6807 NPC274089
Remote Similarity 0.6807 NPC477251
Remote Similarity 0.6807 NPC191215
Remote Similarity 0.6807 NPC136962
Remote Similarity 0.6807 NPC30594
Remote Similarity 0.6791 NPC246079
Remote Similarity 0.6788 NPC316906
Remote Similarity 0.6786 NPC473922
Remote Similarity 0.6777 NPC251854
Remote Similarity 0.6777 NPC93084
Remote Similarity 0.6774 NPC474095
Remote Similarity 0.6769 NPC307020
Remote Similarity 0.6765 NPC470441
Remote Similarity 0.6759 NPC53299
Remote Similarity 0.6754 NPC3371
Remote Similarity 0.675 NPC56493
Remote Similarity 0.6748 NPC280760
Remote Similarity 0.6742 NPC305717
Remote Similarity 0.6742 NPC218323
Remote Similarity 0.6724 NPC118343
Remote Similarity 0.6723 NPC167336
Remote Similarity 0.6723 NPC269457
Remote Similarity 0.6723 NPC473855
Remote Similarity 0.6721 NPC323007
Remote Similarity 0.6721 NPC95126
Remote Similarity 0.6721 NPC167504
Remote Similarity 0.6721 NPC475002
Remote Similarity 0.6719 NPC80150
Remote Similarity 0.6719 NPC190663
Remote Similarity 0.6719 NPC473243
Remote Similarity 0.6716 NPC231382
Remote Similarity 0.6714 NPC475128
Remote Similarity 0.6698 NPC133050
Remote Similarity 0.6698 NPC165212
Remote Similarity 0.6697 NPC474211
Remote Similarity 0.6696 NPC270654
Remote Similarity 0.6694 NPC153053
Remote Similarity 0.6694 NPC114741
Remote Similarity 0.6694 NPC182549
Remote Similarity 0.6692 NPC213969
Remote Similarity 0.6692 NPC165726
Remote Similarity 0.669 NPC328824
Remote Similarity 0.6667 NPC79496
Remote Similarity 0.6667 NPC119271
Remote Similarity 0.6667 NPC326447
Remote Similarity 0.6667 NPC242764
Remote Similarity 0.6667 NPC70624
Remote Similarity 0.6667 NPC289381
Remote Similarity 0.6667 NPC9822
Remote Similarity 0.6667 NPC50872
Remote Similarity 0.6667 NPC155847
Remote Similarity 0.6667 NPC105141
Remote Similarity 0.6667 NPC245927
Remote Similarity 0.6642 NPC475598
Remote Similarity 0.6642 NPC273907
Remote Similarity 0.6642 NPC474811
Remote Similarity 0.6642 NPC118099
Remote Similarity 0.6642 NPC79465
Remote Similarity 0.6642 NPC76785
Remote Similarity 0.6642 NPC151706
Remote Similarity 0.6642 NPC476102
Remote Similarity 0.6642 NPC475318
Remote Similarity 0.6642 NPC260045
Remote Similarity 0.6642 NPC90194
Remote Similarity 0.6642 NPC474787
Remote Similarity 0.6642 NPC293377
Remote Similarity 0.6642 NPC49577
Remote Similarity 0.6642 NPC9687
Remote Similarity 0.6642 NPC474855
Remote Similarity 0.6641 NPC328267
Remote Similarity 0.6639 NPC174099
Remote Similarity 0.6639 NPC472222
Remote Similarity 0.6639 NPC31786
Remote Similarity 0.6639 NPC280616
Remote Similarity 0.6639 NPC472221
Remote Similarity 0.6639 NPC171831
Remote Similarity 0.6639 NPC242913
Remote Similarity 0.6638 NPC271475
Remote Similarity 0.6636 NPC305602
Remote Similarity 0.6636 NPC17497
Remote Similarity 0.6636 NPC106313
Remote Similarity 0.6636 NPC322387
Remote Similarity 0.6619 NPC225745
Remote Similarity 0.6619 NPC470707
Remote Similarity 0.6619 NPC252107
Remote Similarity 0.6618 NPC470392
Remote Similarity 0.6615 NPC142577
Remote Similarity 0.6615 NPC474862
Remote Similarity 0.6614 NPC183154
Remote Similarity 0.6614 NPC263754
Remote Similarity 0.6613 NPC26615
Remote Similarity 0.6613 NPC273814

Drug Structure

External Identifiers

TTD   DIB011607
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  261.17
ALogP  -0.3058
MLogP  2.89
XLogP  4.089
HDA  3
HBD  0
Rotatable Bonds  7
TPSA  29.54
RO5 Violation  0