Drug Information

Drug ID:  NPD5656
Drug Name:  
Molecular Formula:  C23H29N
Canonical SMILES:  CCC(c1ccccc1)(N(CC1CC1)C)C/C=C/c1ccccc1
Standard InCHI:  InChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3/b13-10+
Standard InCHIKey:  VCZSWYIFCKGTJI-JLHYYAGUSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5656

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 0.8876 NPC470926
Intermediate Similarity 0.8434 NPC271642
Intermediate Similarity 0.8391 NPC104070
Intermediate Similarity 0.8313 NPC98976
Intermediate Similarity 0.8295 NPC169016
Intermediate Similarity 0.8191 NPC329430
Intermediate Similarity 0.8061 NPC239854
Intermediate Similarity 0.7955 NPC231986
Intermediate Similarity 0.7822 NPC474695
Intermediate Similarity 0.7816 NPC12857
Intermediate Similarity 0.7778 NPC119677
Intermediate Similarity 0.7717 NPC258046
Intermediate Similarity 0.7525 NPC291610
Intermediate Similarity 0.75 NPC133162
Intermediate Similarity 0.75 NPC98269
Intermediate Similarity 0.75 NPC325662
Intermediate Similarity 0.7386 NPC139658
Intermediate Similarity 0.7347 NPC322040
Intermediate Similarity 0.7255 NPC474582
Intermediate Similarity 0.7209 NPC219246
Intermediate Similarity 0.7159 NPC122327
Intermediate Similarity 0.7159 NPC113000
Intermediate Similarity 0.7159 NPC299134
Intermediate Similarity 0.7159 NPC112609
Intermediate Similarity 0.7111 NPC290638
Intermediate Similarity 0.71 NPC108339
Intermediate Similarity 0.7083 NPC60408
Intermediate Similarity 0.7083 NPC473031
Intermediate Similarity 0.7079 NPC276699
Intermediate Similarity 0.7045 NPC244738
Intermediate Similarity 0.703 NPC471319
Intermediate Similarity 0.703 NPC471320
Intermediate Similarity 0.7021 NPC474088
Intermediate Similarity 0.7011 NPC229235
Intermediate Similarity 0.7 NPC469330
Remote Similarity 0.6988 NPC22786
Remote Similarity 0.6979 NPC203076
Remote Similarity 0.6939 NPC470877
Remote Similarity 0.6939 NPC176858
Remote Similarity 0.6907 NPC305602
Remote Similarity 0.6907 NPC17497
Remote Similarity 0.6905 NPC113670
Remote Similarity 0.69 NPC473661
Remote Similarity 0.6869 NPC141139
Remote Similarity 0.6869 NPC121872
Remote Similarity 0.6869 NPC471307
Remote Similarity 0.6869 NPC78041
Remote Similarity 0.6869 NPC209764
Remote Similarity 0.6869 NPC159178
Remote Similarity 0.6869 NPC191444
Remote Similarity 0.6869 NPC74936
Remote Similarity 0.6867 NPC210849
Remote Similarity 0.6867 NPC246588
Remote Similarity 0.6867 NPC135924
Remote Similarity 0.686 NPC267443
Remote Similarity 0.6854 NPC54269
Remote Similarity 0.6842 NPC192209
Remote Similarity 0.6824 NPC198023
Remote Similarity 0.6824 NPC155172
Remote Similarity 0.6824 NPC32312
Remote Similarity 0.6822 NPC167336
Remote Similarity 0.6822 NPC473418
Remote Similarity 0.6786 NPC187036
Remote Similarity 0.6783 NPC264580
Remote Similarity 0.6783 NPC320656
Remote Similarity 0.6752 NPC475915
Remote Similarity 0.6752 NPC314192
Remote Similarity 0.6706 NPC88566
Remote Similarity 0.6706 NPC45756
Remote Similarity 0.6705 NPC213570
Remote Similarity 0.6705 NPC139416
Remote Similarity 0.6705 NPC246822
Remote Similarity 0.6696 NPC313449
Remote Similarity 0.6667 NPC30445
Remote Similarity 0.6667 NPC471309
Remote Similarity 0.6628 NPC291066
Remote Similarity 0.6627 NPC114327
Remote Similarity 0.6627 NPC36357
Remote Similarity 0.6596 NPC159661
Remote Similarity 0.6588 NPC71009
Remote Similarity 0.6588 NPC29680
Remote Similarity 0.6579 NPC246904
Remote Similarity 0.6577 NPC65855
Remote Similarity 0.6577 NPC292758
Remote Similarity 0.6569 NPC108800
Remote Similarity 0.6562 NPC14326
Remote Similarity 0.6559 NPC3190
Remote Similarity 0.6559 NPC249018
Remote Similarity 0.6556 NPC193578
Remote Similarity 0.6556 NPC135433
Remote Similarity 0.6556 NPC226999
Remote Similarity 0.6556 NPC87099
Remote Similarity 0.6556 NPC39799
Remote Similarity 0.6556 NPC1008
Remote Similarity 0.6556 NPC280135
Remote Similarity 0.6556 NPC158028
Remote Similarity 0.6552 NPC178527
Remote Similarity 0.6545 NPC434
Remote Similarity 0.6545 NPC79618
Remote Similarity 0.6529 NPC79698
Remote Similarity 0.6522 NPC288232
Remote Similarity 0.6517 NPC473206
Remote Similarity 0.6514 NPC476198
Remote Similarity 0.6506 NPC65873
Remote Similarity 0.6506 NPC300345
Remote Similarity 0.6506 NPC212114
Remote Similarity 0.6506 NPC120441
Remote Similarity 0.65 NPC12429
Remote Similarity 0.6491 NPC296163
Remote Similarity 0.6476 NPC472258
Remote Similarity 0.6476 NPC311242
Remote Similarity 0.6475 NPC252794
Remote Similarity 0.6471 NPC150196
Remote Similarity 0.6471 NPC248705
Remote Similarity 0.6471 NPC238023
Remote Similarity 0.6471 NPC310758
Remote Similarity 0.6471 NPC54368
Remote Similarity 0.6466 NPC313673
Remote Similarity 0.6455 NPC45033
Remote Similarity 0.6444 NPC263385
Remote Similarity 0.6444 NPC72670
Remote Similarity 0.6444 NPC251490
Remote Similarity 0.6442 NPC303045
Remote Similarity 0.6442 NPC256452
Remote Similarity 0.6442 NPC161972
Remote Similarity 0.6441 NPC226143
Remote Similarity 0.6423 NPC145754
Remote Similarity 0.6422 NPC469974
Remote Similarity 0.6415 NPC322598
Remote Similarity 0.6395 NPC200745
Remote Similarity 0.6386 NPC198841
Remote Similarity 0.6386 NPC269586
Remote Similarity 0.6381 NPC25565
Remote Similarity 0.6379 NPC473573
Remote Similarity 0.6373 NPC172128
Remote Similarity 0.6354 NPC475573
Remote Similarity 0.6354 NPC475289
Remote Similarity 0.6354 NPC315216
Remote Similarity 0.6353 NPC147062
Remote Similarity 0.6349 NPC473962
Remote Similarity 0.6346 NPC474974
Remote Similarity 0.6344 NPC307195
Remote Similarity 0.6339 NPC164802
Remote Similarity 0.6339 NPC302790
Remote Similarity 0.6337 NPC111233
Remote Similarity 0.6333 NPC200936
Remote Similarity 0.6333 NPC297358
Remote Similarity 0.6325 NPC470544
Remote Similarity 0.6322 NPC50266
Remote Similarity 0.6321 NPC473501
Remote Similarity 0.6321 NPC475439
Remote Similarity 0.6304 NPC1901
Remote Similarity 0.6296 NPC228400
Remote Similarity 0.6296 NPC469457
Remote Similarity 0.6296 NPC214200
Remote Similarity 0.6296 NPC316797
Remote Similarity 0.6292 NPC6107
Remote Similarity 0.629 NPC478079
Remote Similarity 0.6277 NPC110264
Remote Similarity 0.6273 NPC275467
Remote Similarity 0.6271 NPC470545
Remote Similarity 0.627 NPC126458
Remote Similarity 0.6265 NPC149436
Remote Similarity 0.6265 NPC277704
Remote Similarity 0.625 NPC55529
Remote Similarity 0.625 NPC313352
Remote Similarity 0.6238 NPC471638
Remote Similarity 0.6237 NPC258492
Remote Similarity 0.6237 NPC96835
Remote Similarity 0.6235 NPC64270
Remote Similarity 0.6235 NPC8235
Remote Similarity 0.6222 NPC22760
Remote Similarity 0.6218 NPC470546
Remote Similarity 0.6218 NPC228515
Remote Similarity 0.6214 NPC316108
Remote Similarity 0.6214 NPC78154
Remote Similarity 0.6211 NPC9796
Remote Similarity 0.6207 NPC66517
Remote Similarity 0.62 NPC229477
Remote Similarity 0.62 NPC3210
Remote Similarity 0.6198 NPC257490
Remote Similarity 0.6195 NPC77294
Remote Similarity 0.619 NPC7067
Remote Similarity 0.619 NPC71140
Remote Similarity 0.6182 NPC471317
Remote Similarity 0.6182 NPC202613
Remote Similarity 0.6182 NPC471310
Remote Similarity 0.618 NPC113837
Remote Similarity 0.618 NPC289915
Remote Similarity 0.618 NPC36440
Remote Similarity 0.6167 NPC291962
Remote Similarity 0.6167 NPC177684
Remote Similarity 0.6163 NPC169110
Remote Similarity 0.6161 NPC473498
Remote Similarity 0.6154 NPC226438
Remote Similarity 0.6154 NPC245259
Remote Similarity 0.6146 NPC255345
Remote Similarity 0.6146 NPC66270
Remote Similarity 0.6146 NPC245896
Remote Similarity 0.614 NPC158854

Drug Structure

External Identifiers

TTD   DNC000782; DCL000689
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6438339
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  319.23
ALogP  0.3408
MLogP  3.88
XLogP  9.197
HDA  1
HBD  0
Rotatable Bonds  10
TPSA  3.24
RO5 Violation  1