Drug Information

Drug ID:  NPD603
Drug Name:  
Molecular Formula:  C11H18N
Canonical SMILES:  CC[N+](Cc1ccccc1)(C)C
Standard InCHI:  InChI=1S/C11H18N/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/q+1
Standard InCHIKey:  ODRZUUBZEIXMOS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD603

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 0.9859 NPC271642
High Similarity 0.9718 NPC98976
High Similarity 0.9067 NPC12857
High Similarity 0.8974 NPC104070
High Similarity 0.8625 NPC169016
Intermediate Similarity 0.8378 NPC219246
Intermediate Similarity 0.8353 NPC470926
Intermediate Similarity 0.8312 NPC139658
Intermediate Similarity 0.8289 NPC299134
Intermediate Similarity 0.825 NPC231986
Intermediate Similarity 0.8205 NPC325662
Intermediate Similarity 0.8205 NPC98269
Intermediate Similarity 0.8193 NPC258046
Intermediate Similarity 0.7922 NPC244738
Intermediate Similarity 0.7895 NPC229235
Intermediate Similarity 0.7831 NPC474088
Intermediate Similarity 0.7821 NPC122327
Intermediate Similarity 0.7821 NPC112609
Intermediate Similarity 0.7821 NPC113000
Intermediate Similarity 0.7753 NPC469330
Intermediate Similarity 0.7753 NPC322040
Intermediate Similarity 0.7722 NPC276699
Intermediate Similarity 0.7674 NPC305602
Intermediate Similarity 0.7674 NPC17497
Intermediate Similarity 0.7674 NPC473031
Intermediate Similarity 0.7667 NPC329430
Intermediate Similarity 0.764 NPC473661
Intermediate Similarity 0.7619 NPC119677
Intermediate Similarity 0.7582 NPC471320
Intermediate Similarity 0.7582 NPC471319
Intermediate Similarity 0.7553 NPC239854
Intermediate Similarity 0.7553 NPC291610
Intermediate Similarity 0.7531 NPC290638
Intermediate Similarity 0.75 NPC470877
Intermediate Similarity 0.7473 NPC108339
Intermediate Similarity 0.7465 NPC269586
Intermediate Similarity 0.7416 NPC159178
Intermediate Similarity 0.7416 NPC209764
Intermediate Similarity 0.7416 NPC78041
Intermediate Similarity 0.7416 NPC74936
Intermediate Similarity 0.7416 NPC141139
Intermediate Similarity 0.7416 NPC471307
Intermediate Similarity 0.7416 NPC121872
Intermediate Similarity 0.7361 NPC212114
Intermediate Similarity 0.7361 NPC120441
Intermediate Similarity 0.7361 NPC65873
Intermediate Similarity 0.7361 NPC300345
Intermediate Similarity 0.7324 NPC149436
Intermediate Similarity 0.7324 NPC277704
Intermediate Similarity 0.732 NPC474695
Intermediate Similarity 0.7297 NPC210849
Intermediate Similarity 0.7262 NPC475573
Intermediate Similarity 0.7262 NPC475289
Intermediate Similarity 0.726 NPC8235
Intermediate Similarity 0.7222 NPC198841
Intermediate Similarity 0.7174 NPC471309
Intermediate Similarity 0.7174 NPC474974
Intermediate Similarity 0.7162 NPC147062
Intermediate Similarity 0.7162 NPC169110
Intermediate Similarity 0.7126 NPC133162
Intermediate Similarity 0.7105 NPC50266
Intermediate Similarity 0.7067 NPC248705
Intermediate Similarity 0.7067 NPC54368
Intermediate Similarity 0.7067 NPC150196
Intermediate Similarity 0.7067 NPC310758
Intermediate Similarity 0.7067 NPC238023
Intermediate Similarity 0.7067 NPC135924
Intermediate Similarity 0.7027 NPC64270
Intermediate Similarity 0.7027 NPC36357
Intermediate Similarity 0.7027 NPC114327
Intermediate Similarity 0.7013 NPC32312
Intermediate Similarity 0.7013 NPC155172
Intermediate Similarity 0.7013 NPC198023
Intermediate Similarity 0.7 NPC12429
Remote Similarity 0.6974 NPC22786
Remote Similarity 0.6974 NPC29680
Remote Similarity 0.697 NPC476198
Remote Similarity 0.6966 NPC203076
Remote Similarity 0.6923 NPC178527
Remote Similarity 0.6915 NPC256452
Remote Similarity 0.6897 NPC14326
Remote Similarity 0.6889 NPC471638
Remote Similarity 0.6889 NPC53492
Remote Similarity 0.6883 NPC45756
Remote Similarity 0.6883 NPC88566
Remote Similarity 0.6875 NPC322598
Remote Similarity 0.6875 NPC200936
Remote Similarity 0.6869 NPC469974
Remote Similarity 0.6848 NPC78154
Remote Similarity 0.6842 NPC246588
Remote Similarity 0.6813 NPC111233
Remote Similarity 0.6813 NPC30445
Remote Similarity 0.6809 NPC71140
Remote Similarity 0.6809 NPC7067
Remote Similarity 0.6774 NPC245259
Remote Similarity 0.6771 NPC472258
Remote Similarity 0.6765 NPC164802
Remote Similarity 0.6753 NPC200745
Remote Similarity 0.6753 NPC66517
Remote Similarity 0.6753 NPC71009
Remote Similarity 0.6735 NPC214200
Remote Similarity 0.6735 NPC228400
Remote Similarity 0.6735 NPC474582
Remote Similarity 0.6707 NPC121708
Remote Similarity 0.6707 NPC125144
Remote Similarity 0.6703 NPC60408
Remote Similarity 0.6703 NPC262295
Remote Similarity 0.6667 NPC3210
Remote Similarity 0.6667 NPC55529
Remote Similarity 0.6667 NPC113670
Remote Similarity 0.6667 NPC21211
Remote Similarity 0.6634 NPC473418
Remote Similarity 0.6629 NPC134825
Remote Similarity 0.6625 NPC52330
Remote Similarity 0.6625 NPC267443
Remote Similarity 0.6625 NPC6107
Remote Similarity 0.6623 NPC45255
Remote Similarity 0.66 NPC471317
Remote Similarity 0.66 NPC471310
Remote Similarity 0.66 NPC202613
Remote Similarity 0.6588 NPC110264
Remote Similarity 0.6582 NPC291066
Remote Similarity 0.6566 NPC155847
Remote Similarity 0.6566 NPC289381
Remote Similarity 0.6562 NPC161972
Remote Similarity 0.6562 NPC303045
Remote Similarity 0.6562 NPC58674
Remote Similarity 0.6559 NPC173991
Remote Similarity 0.6559 NPC176858
Remote Similarity 0.6543 NPC311343
Remote Similarity 0.6514 NPC313449
Remote Similarity 0.65 NPC36440
Remote Similarity 0.65 NPC289915
Remote Similarity 0.65 NPC329375
Remote Similarity 0.65 NPC113837
Remote Similarity 0.6495 NPC25565
Remote Similarity 0.6494 NPC147578
Remote Similarity 0.6489 NPC191444
Remote Similarity 0.6489 NPC316108
Remote Similarity 0.6471 NPC167336
Remote Similarity 0.6471 NPC143516
Remote Similarity 0.6463 NPC98880
Remote Similarity 0.6463 NPC139416
Remote Similarity 0.6463 NPC246822
Remote Similarity 0.6463 NPC213570
Remote Similarity 0.6449 NPC187036
Remote Similarity 0.6449 NPC296163
Remote Similarity 0.6442 NPC77294
Remote Similarity 0.6429 NPC473501
Remote Similarity 0.6429 NPC54269
Remote Similarity 0.6429 NPC475439
Remote Similarity 0.6422 NPC313673
Remote Similarity 0.6421 NPC226438
Remote Similarity 0.641 NPC200624
Remote Similarity 0.6408 NPC130898
Remote Similarity 0.6408 NPC474973
Remote Similarity 0.6408 NPC45033
Remote Similarity 0.6408 NPC471447
Remote Similarity 0.6408 NPC474804
Remote Similarity 0.6386 NPC95289
Remote Similarity 0.6373 NPC275467
Remote Similarity 0.6364 NPC192209
Remote Similarity 0.6354 NPC108800
Remote Similarity 0.6341 NPC78954
Remote Similarity 0.6341 NPC239931
Remote Similarity 0.6341 NPC82770
Remote Similarity 0.6341 NPC22760
Remote Similarity 0.6339 NPC316582
Remote Similarity 0.6337 NPC327226
Remote Similarity 0.633 NPC101139
Remote Similarity 0.633 NPC288232
Remote Similarity 0.6316 NPC172128
Remote Similarity 0.631 NPC326200
Remote Similarity 0.631 NPC158028
Remote Similarity 0.631 NPC193578
Remote Similarity 0.631 NPC74458
Remote Similarity 0.631 NPC226999
Remote Similarity 0.631 NPC39799
Remote Similarity 0.631 NPC135433
Remote Similarity 0.631 NPC280135
Remote Similarity 0.631 NPC87099
Remote Similarity 0.631 NPC1008
Remote Similarity 0.6306 NPC264580
Remote Similarity 0.6306 NPC228515
Remote Similarity 0.6304 NPC229477
Remote Similarity 0.6296 NPC57051
Remote Similarity 0.6289 NPC291070
Remote Similarity 0.6289 NPC246757
Remote Similarity 0.6286 NPC473676
Remote Similarity 0.6265 NPC169222
Remote Similarity 0.6265 NPC5324
Remote Similarity 0.6265 NPC473206
Remote Similarity 0.6265 NPC235059
Remote Similarity 0.6265 NPC297358
Remote Similarity 0.6265 NPC16190
Remote Similarity 0.6263 NPC311242
Remote Similarity 0.625 NPC291962
Remote Similarity 0.625 NPC177684
Remote Similarity 0.6235 NPC285679
Remote Similarity 0.6235 NPC212463

Drug Structure

External Identifiers

TTD   DIB013677
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  164.14
ALogP  -0.875
MLogP  2.56
XLogP  3.203
HDA  0
HBD  0
Rotatable Bonds  6
TPSA  0
RO5 Violation  0