Drug Information

Drug ID:  NPD2679
Drug Name:  Etidocaine
Molecular Formula:  C17H28N2O
Canonical SMILES:  CCCN(C(C(=Nc1c(C)cccc1C)O)CC)CC
Standard InCHI:  InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)
Standard InCHIKey:  VTUSIVBDOCDNHS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2679

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 0.8039 NPC78154
Intermediate Similarity 0.7596 NPC470877
Intermediate Similarity 0.7524 NPC159178
Intermediate Similarity 0.7524 NPC209764
Intermediate Similarity 0.7524 NPC471307
Intermediate Similarity 0.7524 NPC141139
Intermediate Similarity 0.7524 NPC78041
Intermediate Similarity 0.7524 NPC74936
Intermediate Similarity 0.7524 NPC121872
Intermediate Similarity 0.748 NPC283130
Intermediate Similarity 0.748 NPC328683
Intermediate Similarity 0.7411 NPC178681
Intermediate Similarity 0.7353 NPC15839
Intermediate Similarity 0.7339 NPC25565
Intermediate Similarity 0.7315 NPC471309
Intermediate Similarity 0.7293 NPC243162
Intermediate Similarity 0.7273 NPC475439
Intermediate Similarity 0.7273 NPC473501
Intermediate Similarity 0.7248 NPC303045
Intermediate Similarity 0.7248 NPC161972
Intermediate Similarity 0.7244 NPC476950
Intermediate Similarity 0.7241 NPC164802
Intermediate Similarity 0.7238 NPC473031
Intermediate Similarity 0.7236 NPC316582
Intermediate Similarity 0.7213 NPC264580
Intermediate Similarity 0.717 NPC12429
Intermediate Similarity 0.7168 NPC291610
Intermediate Similarity 0.7167 NPC205652
Intermediate Similarity 0.7167 NPC470550
Intermediate Similarity 0.7157 NPC307456
Intermediate Similarity 0.7156 NPC476483
Intermediate Similarity 0.7131 NPC192209
Intermediate Similarity 0.713 NPC226438
Intermediate Similarity 0.7117 NPC311242
Intermediate Similarity 0.7109 NPC478079
Intermediate Similarity 0.7083 NPC296163
Intermediate Similarity 0.7083 NPC35850
Intermediate Similarity 0.7083 NPC187036
Intermediate Similarity 0.7083 NPC276949
Intermediate Similarity 0.7075 NPC471638
Intermediate Similarity 0.7073 NPC228515
Intermediate Similarity 0.7037 NPC316108
Intermediate Similarity 0.7025 NPC33742
Intermediate Similarity 0.7015 NPC122553
Intermediate Similarity 0.7009 NPC111233
Intermediate Similarity 0.7 NPC226662
Remote Similarity 0.6992 NPC313449
Remote Similarity 0.6972 NPC245259
Remote Similarity 0.696 NPC317564
Remote Similarity 0.6929 NPC254798
Remote Similarity 0.6917 NPC184437
Remote Similarity 0.6911 NPC470544
Remote Similarity 0.6911 NPC239357
Remote Similarity 0.6911 NPC147957
Remote Similarity 0.6897 NPC224610
Remote Similarity 0.6897 NPC113326
Remote Similarity 0.6897 NPC194390
Remote Similarity 0.6897 NPC88267
Remote Similarity 0.6894 NPC476689
Remote Similarity 0.6894 NPC476687
Remote Similarity 0.6894 NPC476685
Remote Similarity 0.687 NPC314431
Remote Similarity 0.6864 NPC37584
Remote Similarity 0.6855 NPC470545
Remote Similarity 0.6832 NPC271642
Remote Similarity 0.6829 NPC288232
Remote Similarity 0.681 NPC471317
Remote Similarity 0.681 NPC202613
Remote Similarity 0.681 NPC471310
Remote Similarity 0.68 NPC470546
Remote Similarity 0.6786 NPC58674
Remote Similarity 0.6781 NPC104345
Remote Similarity 0.678 NPC130898
Remote Similarity 0.678 NPC474973
Remote Similarity 0.678 NPC474804
Remote Similarity 0.6774 NPC313673
Remote Similarity 0.6738 NPC472100
Remote Similarity 0.6733 NPC98976
Remote Similarity 0.6727 NPC172128
Remote Similarity 0.6726 NPC471320
Remote Similarity 0.6726 NPC471319
Remote Similarity 0.6714 NPC472103
Remote Similarity 0.6713 NPC187951
Remote Similarity 0.6696 NPC469330
Remote Similarity 0.6695 NPC143516
Remote Similarity 0.6693 NPC200964
Remote Similarity 0.6693 NPC476990
Remote Similarity 0.6692 NPC325013
Remote Similarity 0.6667 NPC150863
Remote Similarity 0.6667 NPC231986
Remote Similarity 0.6667 NPC203076
Remote Similarity 0.6667 NPC116519
Remote Similarity 0.6667 NPC313352
Remote Similarity 0.6667 NPC470926
Remote Similarity 0.6644 NPC207726
Remote Similarity 0.6641 NPC71684
Remote Similarity 0.6641 NPC202521
Remote Similarity 0.664 NPC315276
Remote Similarity 0.664 NPC14672
Remote Similarity 0.664 NPC285926
Remote Similarity 0.6639 NPC327481
Remote Similarity 0.6638 NPC214200
Remote Similarity 0.6638 NPC228400
Remote Similarity 0.6619 NPC316202
Remote Similarity 0.6606 NPC262295
Remote Similarity 0.6604 NPC14326
Remote Similarity 0.6599 NPC477157
Remote Similarity 0.6599 NPC477156
Remote Similarity 0.6599 NPC84317
Remote Similarity 0.6589 NPC252878
Remote Similarity 0.6581 NPC239854
Remote Similarity 0.6577 NPC68650
Remote Similarity 0.6574 NPC3210
Remote Similarity 0.6565 NPC474926
Remote Similarity 0.6565 NPC101719
Remote Similarity 0.6552 NPC12730
Remote Similarity 0.6538 NPC46427
Remote Similarity 0.6538 NPC6975
Remote Similarity 0.6535 NPC220698
Remote Similarity 0.6531 NPC38736
Remote Similarity 0.6529 NPC302790
Remote Similarity 0.6525 NPC314287
Remote Similarity 0.6525 NPC474430
Remote Similarity 0.6522 NPC472258
Remote Similarity 0.651 NPC67056
Remote Similarity 0.651 NPC154478
Remote Similarity 0.6503 NPC478039
Remote Similarity 0.6493 NPC9856
Remote Similarity 0.6493 NPC280807
Remote Similarity 0.6493 NPC472245
Remote Similarity 0.6491 NPC108339
Remote Similarity 0.649 NPC194640
Remote Similarity 0.6489 NPC317758
Remote Similarity 0.6489 NPC222466
Remote Similarity 0.6489 NPC22746
Remote Similarity 0.6484 NPC177684
Remote Similarity 0.6484 NPC291962
Remote Similarity 0.6483 NPC37548
Remote Similarity 0.6471 NPC275467
Remote Similarity 0.6452 NPC474584
Remote Similarity 0.6449 NPC325599
Remote Similarity 0.6444 NPC316746
Remote Similarity 0.6441 NPC329375
Remote Similarity 0.6434 NPC161956
Remote Similarity 0.6434 NPC112373
Remote Similarity 0.6434 NPC258531
Remote Similarity 0.6429 NPC92689
Remote Similarity 0.6424 NPC476231
Remote Similarity 0.6424 NPC289776
Remote Similarity 0.6424 NPC191863
Remote Similarity 0.6424 NPC133470
Remote Similarity 0.6424 NPC16667
Remote Similarity 0.6423 NPC319579
Remote Similarity 0.6418 NPC471313
Remote Similarity 0.6418 NPC471311
Remote Similarity 0.6418 NPC101372
Remote Similarity 0.6417 NPC211551
Remote Similarity 0.6406 NPC81561
Remote Similarity 0.6403 NPC287358
Remote Similarity 0.64 NPC314141
Remote Similarity 0.6397 NPC325479
Remote Similarity 0.6397 NPC207428
Remote Similarity 0.6397 NPC53044
Remote Similarity 0.6396 NPC325441
Remote Similarity 0.6396 NPC30445
Remote Similarity 0.6393 NPC473676
Remote Similarity 0.6389 NPC104070
Remote Similarity 0.6389 NPC264589
Remote Similarity 0.6389 NPC314372
Remote Similarity 0.6389 NPC324445
Remote Similarity 0.6387 NPC164859
Remote Similarity 0.6385 NPC215519
Remote Similarity 0.6385 NPC475915
Remote Similarity 0.6383 NPC104483
Remote Similarity 0.6382 NPC189116
Remote Similarity 0.6381 NPC12857
Remote Similarity 0.6379 NPC33168
Remote Similarity 0.6377 NPC300299
Remote Similarity 0.6376 NPC285469
Remote Similarity 0.6364 NPC45033
Remote Similarity 0.6364 NPC471447
Remote Similarity 0.6358 NPC477158
Remote Similarity 0.6357 NPC83214
Remote Similarity 0.6357 NPC226143
Remote Similarity 0.6356 NPC469457
Remote Similarity 0.6351 NPC469760
Remote Similarity 0.6351 NPC25008
Remote Similarity 0.6351 NPC469786
Remote Similarity 0.6351 NPC73952
Remote Similarity 0.6351 NPC259644
Remote Similarity 0.6351 NPC469765
Remote Similarity 0.6351 NPC469763
Remote Similarity 0.6343 NPC319766
Remote Similarity 0.6341 NPC470127
Remote Similarity 0.634 NPC470508
Remote Similarity 0.6333 NPC153694
Remote Similarity 0.6333 NPC211525
Remote Similarity 0.6333 NPC129721
Remote Similarity 0.6328 NPC476566
Remote Similarity 0.6328 NPC148140

Drug Structure

External Identifiers

TTD   DIB008909
DrugBank   DB08987
ChEMBL   CHEMBL492
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D04095
PubChem CID   37497
ChEBI   4904
CAS Number  36637-18-0

Drug Properties

Molecular Weight  276.22
ALogP  0.9494
MLogP  3
XLogP  4.677
HDA  3
HBD  1
Rotatable Bonds  13
TPSA  35.83
RO5 Violation  0