Drug Information

Drug ID:  NPD1099
Drug Name:  Diethylpropion Hydrochloride
Molecular Formula:  C13H19NO.ClH
Canonical SMILES:  CCN(C(C(=O)c1ccccc1)C)CC.Cl
Standard InCHI:  InChI=1S/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H
Standard InCHIKey:  ICFXZZFWRWNZMA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1099

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 0.883 NPC291070
High Similarity 0.883 NPC246757
High Similarity 0.87 NPC167336
Intermediate Similarity 0.8318 NPC113099
Intermediate Similarity 0.81 NPC322598
Intermediate Similarity 0.8036 NPC27833
Intermediate Similarity 0.8 NPC36342
Intermediate Similarity 0.8 NPC285470
Intermediate Similarity 0.8 NPC2785
Intermediate Similarity 0.7912 NPC300205
Intermediate Similarity 0.7889 NPC245966
Intermediate Similarity 0.7826 NPC164086
Intermediate Similarity 0.7826 NPC190567
Intermediate Similarity 0.781 NPC473418
Intermediate Similarity 0.78 NPC256452
Intermediate Similarity 0.7742 NPC145053
Intermediate Similarity 0.7642 NPC476198
Intermediate Similarity 0.7634 NPC71664
Intermediate Similarity 0.7553 NPC273033
Intermediate Similarity 0.7553 NPC12936
Intermediate Similarity 0.7525 NPC71140
Intermediate Similarity 0.75 NPC55529
Intermediate Similarity 0.7478 NPC291962
Intermediate Similarity 0.7478 NPC177684
Intermediate Similarity 0.7449 NPC17497
Intermediate Similarity 0.7449 NPC305602
Intermediate Similarity 0.7449 NPC69057
Intermediate Similarity 0.7444 NPC285679
Intermediate Similarity 0.7426 NPC473661
Intermediate Similarity 0.7414 NPC258531
Intermediate Similarity 0.7414 NPC112373
Intermediate Similarity 0.7414 NPC161956
Intermediate Similarity 0.7396 NPC273758
Intermediate Similarity 0.7368 NPC73978
Intermediate Similarity 0.7347 NPC160339
Intermediate Similarity 0.7347 NPC307
Intermediate Similarity 0.734 NPC151405
Intermediate Similarity 0.734 NPC139901
Intermediate Similarity 0.7333 NPC74458
Intermediate Similarity 0.7328 NPC226143
Intermediate Similarity 0.7315 NPC67043
Intermediate Similarity 0.7311 NPC285394
Intermediate Similarity 0.7273 NPC43945
Intermediate Similarity 0.7263 NPC285716
Intermediate Similarity 0.7263 NPC17408
Intermediate Similarity 0.7234 NPC137847
Intermediate Similarity 0.7234 NPC76455
Intermediate Similarity 0.7216 NPC324624
Intermediate Similarity 0.7216 NPC197581
Intermediate Similarity 0.7216 NPC39600
Intermediate Similarity 0.7216 NPC215008
Intermediate Similarity 0.7203 NPC257490
Intermediate Similarity 0.72 NPC157778
Intermediate Similarity 0.7188 NPC231986
Intermediate Similarity 0.7188 NPC100039
Intermediate Similarity 0.7182 NPC172170
Intermediate Similarity 0.717 NPC12730
Intermediate Similarity 0.7157 NPC133461
Intermediate Similarity 0.7157 NPC284475
Intermediate Similarity 0.7143 NPC26285
Intermediate Similarity 0.7131 NPC305717
Intermediate Similarity 0.713 NPC202613
Intermediate Similarity 0.7128 NPC329318
Intermediate Similarity 0.7111 NPC98880
Intermediate Similarity 0.7107 NPC79698
Intermediate Similarity 0.7105 NPC57051
Intermediate Similarity 0.7087 NPC188844
Intermediate Similarity 0.7087 NPC153885
Intermediate Similarity 0.7087 NPC59677
Intermediate Similarity 0.7087 NPC155232
Intermediate Similarity 0.7087 NPC1682
Intermediate Similarity 0.7083 NPC95868
Intermediate Similarity 0.7071 NPC252067
Intermediate Similarity 0.7059 NPC173413
Intermediate Similarity 0.7059 NPC277277
Intermediate Similarity 0.7053 NPC103488
Intermediate Similarity 0.7041 NPC474088
Intermediate Similarity 0.7033 NPC95289
Intermediate Similarity 0.703 NPC267262
Intermediate Similarity 0.703 NPC473345
Intermediate Similarity 0.7021 NPC271642
Intermediate Similarity 0.7021 NPC78500
Intermediate Similarity 0.7019 NPC238219
Intermediate Similarity 0.7019 NPC474974
Intermediate Similarity 0.7016 NPC179224
Intermediate Similarity 0.7 NPC311343
Remote Similarity 0.6981 NPC293628
Remote Similarity 0.6981 NPC122493
Remote Similarity 0.6981 NPC10781
Remote Similarity 0.6975 NPC179605
Remote Similarity 0.6975 NPC279385
Remote Similarity 0.6972 NPC471317
Remote Similarity 0.6967 NPC470343
Remote Similarity 0.6967 NPC472244
Remote Similarity 0.6961 NPC418308
Remote Similarity 0.6961 NPC113307
Remote Similarity 0.6957 NPC35850
Remote Similarity 0.6957 NPC276949
Remote Similarity 0.6952 NPC260233
Remote Similarity 0.6947 NPC9796
Remote Similarity 0.6937 NPC45033
Remote Similarity 0.6923 NPC323420
Remote Similarity 0.6923 NPC239357
Remote Similarity 0.6917 NPC103292
Remote Similarity 0.6915 NPC98976
Remote Similarity 0.6911 NPC119326
Remote Similarity 0.6903 NPC158854
Remote Similarity 0.6897 NPC33742
Remote Similarity 0.6893 NPC58872
Remote Similarity 0.6893 NPC19256
Remote Similarity 0.6887 NPC185208
Remote Similarity 0.6887 NPC219573
Remote Similarity 0.6869 NPC149263
Remote Similarity 0.6863 NPC153308
Remote Similarity 0.686 NPC39818
Remote Similarity 0.6857 NPC289883
Remote Similarity 0.6842 NPC139658
Remote Similarity 0.6825 NPC126458
Remote Similarity 0.6822 NPC239185
Remote Similarity 0.6822 NPC240042
Remote Similarity 0.6822 NPC324569
Remote Similarity 0.6818 NPC164859
Remote Similarity 0.6809 NPC112609
Remote Similarity 0.6809 NPC122327
Remote Similarity 0.6809 NPC113000
Remote Similarity 0.6809 NPC208075
Remote Similarity 0.6807 NPC220698
Remote Similarity 0.6804 NPC272260
Remote Similarity 0.68 NPC150863
Remote Similarity 0.6783 NPC181390
Remote Similarity 0.678 NPC315276
Remote Similarity 0.678 NPC14672
Remote Similarity 0.678 NPC285926
Remote Similarity 0.6772 NPC473962
Remote Similarity 0.6771 NPC179726
Remote Similarity 0.6759 NPC75724
Remote Similarity 0.6759 NPC49994
Remote Similarity 0.6759 NPC134882
Remote Similarity 0.6748 NPC192533
Remote Similarity 0.6746 NPC472245
Remote Similarity 0.6746 NPC314431
Remote Similarity 0.6746 NPC280807
Remote Similarity 0.6735 NPC477703
Remote Similarity 0.6733 NPC123476
Remote Similarity 0.6702 NPC271437
Remote Similarity 0.67 NPC104070
Remote Similarity 0.6695 NPC473573
Remote Similarity 0.6694 NPC200964
Remote Similarity 0.6667 NPC254698
Remote Similarity 0.6667 NPC472788
Remote Similarity 0.6667 NPC164526
Remote Similarity 0.6667 NPC110704
Remote Similarity 0.6667 NPC265220
Remote Similarity 0.6667 NPC470926
Remote Similarity 0.6667 NPC472258
Remote Similarity 0.664 NPC322433
Remote Similarity 0.664 NPC136453
Remote Similarity 0.6637 NPC473498
Remote Similarity 0.6637 NPC327481
Remote Similarity 0.6636 NPC214200
Remote Similarity 0.6636 NPC472880
Remote Similarity 0.6636 NPC228400
Remote Similarity 0.6636 NPC476993
Remote Similarity 0.6636 NPC109514
Remote Similarity 0.6635 NPC325709
Remote Similarity 0.6613 NPC22746
Remote Similarity 0.6613 NPC222466
Remote Similarity 0.661 NPC472164
Remote Similarity 0.6607 NPC275467
Remote Similarity 0.6602 NPC53492
Remote Similarity 0.6598 NPC290638
Remote Similarity 0.6598 NPC325662
Remote Similarity 0.6598 NPC98269
Remote Similarity 0.6598 NPC298023
Remote Similarity 0.6596 NPC326200
Remote Similarity 0.6587 NPC152850
Remote Similarity 0.6587 NPC89923
Remote Similarity 0.6587 NPC71933
Remote Similarity 0.6587 NPC239990
Remote Similarity 0.6587 NPC105114
Remote Similarity 0.6585 NPC317474
Remote Similarity 0.6585 NPC213126
Remote Similarity 0.6585 NPC268534
Remote Similarity 0.6585 NPC169485
Remote Similarity 0.6585 NPC84281
Remote Similarity 0.6585 NPC291027
Remote Similarity 0.6583 NPC470545
Remote Similarity 0.6581 NPC474584
Remote Similarity 0.6571 NPC67585
Remote Similarity 0.6571 NPC303967
Remote Similarity 0.6571 NPC110420
Remote Similarity 0.6566 NPC157055
Remote Similarity 0.656 NPC101719
Remote Similarity 0.6557 NPC302169
Remote Similarity 0.6555 NPC188010
Remote Similarity 0.6552 NPC319579
Remote Similarity 0.6538 NPC316104
Remote Similarity 0.6538 NPC266425
Remote Similarity 0.6538 NPC477693
Remote Similarity 0.6538 NPC162417

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  205.15
ALogP  0.349
MLogP  2.67
XLogP  3.828
HDA  2
HBD  0
Rotatable Bonds  8
TPSA  20.31
RO5 Violation  0