Drug Information

Drug ID:  NPD813
Drug Name:  Diethyltoluamide
Molecular Formula:  C12H17NO
Canonical SMILES:  CCN(C(=O)c1cccc(c1)C)CC
Standard InCHI:  InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
Standard InCHIKey:  MMOXZBCLCQITDF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD813

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 0.8381 NPC55529
Intermediate Similarity 0.82 NPC256452
Intermediate Similarity 0.8041 NPC305602
Intermediate Similarity 0.8041 NPC17497
Intermediate Similarity 0.7881 NPC79698
Intermediate Similarity 0.7822 NPC473661
Intermediate Similarity 0.7745 NPC71140
Intermediate Similarity 0.7685 NPC167336
Intermediate Similarity 0.7589 NPC181390
Intermediate Similarity 0.7573 NPC474974
Intermediate Similarity 0.7561 NPC126458
Intermediate Similarity 0.75 NPC473962
Intermediate Similarity 0.7447 NPC271642
Intermediate Similarity 0.7404 NPC246757
Intermediate Similarity 0.7404 NPC291070
Intermediate Similarity 0.7364 NPC473418
Intermediate Similarity 0.734 NPC98976
Intermediate Similarity 0.7311 NPC27833
Intermediate Similarity 0.7304 NPC57051
Intermediate Similarity 0.7227 NPC177684
Intermediate Similarity 0.7227 NPC291962
Intermediate Similarity 0.7227 NPC226143
Intermediate Similarity 0.7207 NPC476198
Intermediate Similarity 0.7167 NPC161956
Intermediate Similarity 0.7167 NPC112373
Intermediate Similarity 0.7167 NPC258531
Intermediate Similarity 0.7143 NPC45033
Intermediate Similarity 0.7143 NPC190567
Intermediate Similarity 0.7113 NPC2785
Intermediate Similarity 0.7113 NPC36342
Intermediate Similarity 0.7113 NPC285470
Intermediate Similarity 0.7109 NPC162417
Intermediate Similarity 0.7109 NPC316104
Intermediate Similarity 0.7109 NPC266425
Intermediate Similarity 0.71 NPC474088
Intermediate Similarity 0.7097 NPC322433
Intermediate Similarity 0.7071 NPC145053
Intermediate Similarity 0.7059 NPC160339
Intermediate Similarity 0.7059 NPC307
Intermediate Similarity 0.7041 NPC300205
Intermediate Similarity 0.701 NPC245966
Remote Similarity 0.6991 NPC471447
Remote Similarity 0.699 NPC53492
Remote Similarity 0.6972 NPC322598
Remote Similarity 0.697 NPC164086
Remote Similarity 0.6967 NPC257490
Remote Similarity 0.6953 NPC207428
Remote Similarity 0.6949 NPC113099
Remote Similarity 0.6939 NPC12857
Remote Similarity 0.6931 NPC197581
Remote Similarity 0.6931 NPC104070
Remote Similarity 0.6929 NPC179224
Remote Similarity 0.6923 NPC153308
Remote Similarity 0.6903 NPC143516
Remote Similarity 0.69 NPC12936
Remote Similarity 0.69 NPC100039
Remote Similarity 0.69 NPC273033
Remote Similarity 0.6891 NPC473573
Remote Similarity 0.6887 NPC133461
Remote Similarity 0.688 NPC470343
Remote Similarity 0.688 NPC472244
Remote Similarity 0.6875 NPC202613
Remote Similarity 0.6864 NPC276949
Remote Similarity 0.6864 NPC35850
Remote Similarity 0.6842 NPC474973
Remote Similarity 0.6842 NPC130898
Remote Similarity 0.6842 NPC474804
Remote Similarity 0.6837 NPC329318
Remote Similarity 0.6833 NPC239357
Remote Similarity 0.6827 NPC69057
Remote Similarity 0.6822 NPC153885
Remote Similarity 0.6822 NPC155232
Remote Similarity 0.6807 NPC33742
Remote Similarity 0.6807 NPC246904
Remote Similarity 0.68 NPC71664
Remote Similarity 0.6796 NPC252067
Remote Similarity 0.6792 NPC173413
Remote Similarity 0.6792 NPC277277
Remote Similarity 0.6783 NPC172170
Remote Similarity 0.6768 NPC137847
Remote Similarity 0.6768 NPC76455
Remote Similarity 0.6767 NPC83214
Remote Similarity 0.6765 NPC39600
Remote Similarity 0.6765 NPC273758
Remote Similarity 0.6762 NPC157778
Remote Similarity 0.6759 NPC238219
Remote Similarity 0.6748 NPC279385
Remote Similarity 0.6748 NPC179605
Remote Similarity 0.6748 NPC316582
Remote Similarity 0.6735 NPC78500
Remote Similarity 0.6731 NPC164526
Remote Similarity 0.6729 NPC284475
Remote Similarity 0.6729 NPC470926
Remote Similarity 0.6727 NPC472258
Remote Similarity 0.6726 NPC471317
Remote Similarity 0.6724 NPC473676
Remote Similarity 0.6721 NPC228515
Remote Similarity 0.6719 NPC150863
Remote Similarity 0.6699 NPC169016
Remote Similarity 0.6698 NPC418308
Remote Similarity 0.6698 NPC325709
Remote Similarity 0.6697 NPC260233
Remote Similarity 0.6694 NPC103292
Remote Similarity 0.6692 NPC122553
Remote Similarity 0.6667 NPC59677
Remote Similarity 0.6667 NPC188844
Remote Similarity 0.6667 NPC323420
Remote Similarity 0.6667 NPC280807
Remote Similarity 0.6667 NPC314431
Remote Similarity 0.6667 NPC1682
Remote Similarity 0.6667 NPC472245
Remote Similarity 0.6667 NPC158854
Remote Similarity 0.6667 NPC43945
Remote Similarity 0.664 NPC39818
Remote Similarity 0.6636 NPC185208
Remote Similarity 0.6636 NPC219573
Remote Similarity 0.6636 NPC58872
Remote Similarity 0.6634 NPC285716
Remote Similarity 0.6634 NPC17408
Remote Similarity 0.6607 NPC75496
Remote Similarity 0.6606 NPC289883
Remote Similarity 0.6606 NPC469330
Remote Similarity 0.6604 NPC267262
Remote Similarity 0.6602 NPC149263
Remote Similarity 0.6598 NPC285679
Remote Similarity 0.6594 NPC313850
Remote Similarity 0.6589 NPC165726
Remote Similarity 0.6589 NPC213969
Remote Similarity 0.6587 NPC254698
Remote Similarity 0.6585 NPC220698
Remote Similarity 0.6577 NPC239185
Remote Similarity 0.6574 NPC103346
Remote Similarity 0.6569 NPC73978
Remote Similarity 0.6569 NPC231986
Remote Similarity 0.6557 NPC285926
Remote Similarity 0.6557 NPC315276
Remote Similarity 0.6557 NPC14672
Remote Similarity 0.6555 NPC475013
Remote Similarity 0.6552 NPC473498
Remote Similarity 0.6544 NPC471164
Remote Similarity 0.6541 NPC300299
Remote Similarity 0.6535 NPC151405
Remote Similarity 0.6535 NPC139901
Remote Similarity 0.6535 NPC285394
Remote Similarity 0.6522 NPC275467
Remote Similarity 0.6522 NPC38262
Remote Similarity 0.6519 NPC469560
Remote Similarity 0.6519 NPC238412
Remote Similarity 0.6518 NPC75724
Remote Similarity 0.6518 NPC49994
Remote Similarity 0.6518 NPC134882
Remote Similarity 0.6509 NPC473031
Remote Similarity 0.6508 NPC268534
Remote Similarity 0.6508 NPC26285
Remote Similarity 0.6495 NPC74458
Remote Similarity 0.6491 NPC329375
Remote Similarity 0.6491 NPC239854
Remote Similarity 0.6481 NPC19256
Remote Similarity 0.648 NPC200964
Remote Similarity 0.6471 NPC475573
Remote Similarity 0.6471 NPC95868
Remote Similarity 0.6471 NPC315051
Remote Similarity 0.6471 NPC475289
Remote Similarity 0.6458 NPC98880
Remote Similarity 0.6446 NPC476048
Remote Similarity 0.6442 NPC324624
Remote Similarity 0.6442 NPC215008
Remote Similarity 0.6439 NPC40364
Remote Similarity 0.6436 NPC103488
Remote Similarity 0.6429 NPC265220
Remote Similarity 0.6415 NPC258046
Remote Similarity 0.6412 NPC187231
Remote Similarity 0.6406 NPC22746
Remote Similarity 0.6406 NPC222466
Remote Similarity 0.6404 NPC476993
Remote Similarity 0.6404 NPC109514
Remote Similarity 0.64 NPC139658
Remote Similarity 0.6396 NPC472880
Remote Similarity 0.6392 NPC95289
Remote Similarity 0.6392 NPC219246
Remote Similarity 0.6389 NPC470877
Remote Similarity 0.6389 NPC113307
Remote Similarity 0.6385 NPC305717
Remote Similarity 0.6371 NPC470545
Remote Similarity 0.6364 NPC314098
Remote Similarity 0.6364 NPC208075
Remote Similarity 0.6364 NPC299134
Remote Similarity 0.6364 NPC120251
Remote Similarity 0.6357 NPC101719
Remote Similarity 0.6354 NPC311343
Remote Similarity 0.6349 NPC302169
Remote Similarity 0.6339 NPC471320
Remote Similarity 0.6339 NPC471319
Remote Similarity 0.6337 NPC98269
Remote Similarity 0.6337 NPC325662
Remote Similarity 0.6337 NPC9796
Remote Similarity 0.6337 NPC298023
Remote Similarity 0.633 NPC471307
Remote Similarity 0.633 NPC159178
Remote Similarity 0.633 NPC141139

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  191.13
ALogP  0.7126
MLogP  2.56
XLogP  3.767
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  20.31
RO5 Violation  0