Drug Information

Drug ID:  NPD4170
Drug Name:  Emepronium
Molecular Formula:  C20H28N
Canonical SMILES:  CC[N+](C(CC(c1ccccc1)c1ccccc1)C)(C)C
Standard InCHI:  InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1
Standard InCHIKey:  JEJBJBKVPOWOQK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4170

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 0.8875 NPC231986
High Similarity 0.8721 NPC470926
Intermediate Similarity 0.8118 NPC133162
Intermediate Similarity 0.8025 NPC271642
Intermediate Similarity 0.8022 NPC329430
Intermediate Similarity 0.8 NPC104070
Intermediate Similarity 0.7979 NPC474582
Intermediate Similarity 0.7907 NPC169016
Intermediate Similarity 0.7901 NPC98976
Intermediate Similarity 0.7895 NPC239854
Intermediate Similarity 0.7805 NPC139658
Intermediate Similarity 0.7791 NPC119677
Intermediate Similarity 0.7778 NPC112609
Intermediate Similarity 0.7778 NPC122327
Intermediate Similarity 0.7778 NPC113000
Intermediate Similarity 0.7711 NPC290638
Intermediate Similarity 0.7653 NPC474695
Intermediate Similarity 0.764 NPC60408
Intermediate Similarity 0.7632 NPC22786
Intermediate Similarity 0.7532 NPC113670
Intermediate Similarity 0.75 NPC210849
Intermediate Similarity 0.75 NPC246588
Intermediate Similarity 0.75 NPC98269
Intermediate Similarity 0.75 NPC135924
Intermediate Similarity 0.75 NPC325662
Intermediate Similarity 0.7475 NPC167336
Intermediate Similarity 0.747 NPC276699
Intermediate Similarity 0.7468 NPC267443
Intermediate Similarity 0.7439 NPC54269
Intermediate Similarity 0.7439 NPC244738
Intermediate Similarity 0.7436 NPC198023
Intermediate Similarity 0.7436 NPC32312
Intermediate Similarity 0.7436 NPC155172
Intermediate Similarity 0.7412 NPC12857
Intermediate Similarity 0.7407 NPC229235
Intermediate Similarity 0.7386 NPC474088
Intermediate Similarity 0.7347 NPC291610
Intermediate Similarity 0.7333 NPC258046
Intermediate Similarity 0.7333 NPC203076
Intermediate Similarity 0.7308 NPC88566
Intermediate Similarity 0.7308 NPC45756
Intermediate Similarity 0.73 NPC473418
Intermediate Similarity 0.7284 NPC246822
Intermediate Similarity 0.7284 NPC213570
Intermediate Similarity 0.7284 NPC139416
Intermediate Similarity 0.7253 NPC305602
Intermediate Similarity 0.7253 NPC17497
Intermediate Similarity 0.7237 NPC36357
Intermediate Similarity 0.7237 NPC114327
Intermediate Similarity 0.7215 NPC291066
Intermediate Similarity 0.7184 NPC65855
Intermediate Similarity 0.7184 NPC292758
Intermediate Similarity 0.7179 NPC71009
Intermediate Similarity 0.7179 NPC29680
Intermediate Similarity 0.7126 NPC159661
Intermediate Similarity 0.7125 NPC178527
Intermediate Similarity 0.7108 NPC1008
Intermediate Similarity 0.7108 NPC135433
Intermediate Similarity 0.7108 NPC158028
Intermediate Similarity 0.7108 NPC39799
Intermediate Similarity 0.7108 NPC226999
Intermediate Similarity 0.7108 NPC193578
Intermediate Similarity 0.7108 NPC280135
Intermediate Similarity 0.7108 NPC87099
Intermediate Similarity 0.7105 NPC212114
Intermediate Similarity 0.7105 NPC120441
Intermediate Similarity 0.7105 NPC65873
Intermediate Similarity 0.7105 NPC300345
Intermediate Similarity 0.7093 NPC249018
Intermediate Similarity 0.7093 NPC3190
Intermediate Similarity 0.7079 NPC14326
Intermediate Similarity 0.7073 NPC473206
Intermediate Similarity 0.7053 NPC473661
Intermediate Similarity 0.7051 NPC248705
Intermediate Similarity 0.7051 NPC150196
Intermediate Similarity 0.7051 NPC310758
Intermediate Similarity 0.7051 NPC54368
Intermediate Similarity 0.7051 NPC238023
Intermediate Similarity 0.7009 NPC246904
Remote Similarity 0.6988 NPC219246
Remote Similarity 0.6988 NPC251490
Remote Similarity 0.6988 NPC263385
Remote Similarity 0.6988 NPC72670
Remote Similarity 0.6979 NPC322040
Remote Similarity 0.6974 NPC198841
Remote Similarity 0.6974 NPC269586
Remote Similarity 0.6962 NPC200745
Remote Similarity 0.6944 NPC473573
Remote Similarity 0.6941 NPC299134
Remote Similarity 0.6939 NPC472258
Remote Similarity 0.6939 NPC311242
Remote Similarity 0.6923 NPC147062
Remote Similarity 0.6907 NPC303045
Remote Similarity 0.6907 NPC161972
Remote Similarity 0.6893 NPC45033
Remote Similarity 0.6882 NPC473031
Remote Similarity 0.6875 NPC50266
Remote Similarity 0.6869 NPC322598
Remote Similarity 0.6867 NPC200936
Remote Similarity 0.6867 NPC297358
Remote Similarity 0.686 NPC307195
Remote Similarity 0.6854 NPC315216
Remote Similarity 0.6854 NPC475573
Remote Similarity 0.6854 NPC475289
Remote Similarity 0.6842 NPC149436
Remote Similarity 0.6842 NPC172128
Remote Similarity 0.6842 NPC277704
Remote Similarity 0.6837 NPC25565
Remote Similarity 0.6829 NPC6107
Remote Similarity 0.6824 NPC1901
Remote Similarity 0.6809 NPC12429
Remote Similarity 0.6795 NPC8235
Remote Similarity 0.6795 NPC64270
Remote Similarity 0.6782 NPC110264
Remote Similarity 0.6768 NPC473501
Remote Similarity 0.6768 NPC475439
Remote Similarity 0.6757 NPC264580
Remote Similarity 0.675 NPC66517
Remote Similarity 0.6747 NPC22760
Remote Similarity 0.6744 NPC258492
Remote Similarity 0.6744 NPC96835
Remote Similarity 0.6737 NPC470877
Remote Similarity 0.6737 NPC176858
Remote Similarity 0.6735 NPC256452
Remote Similarity 0.6735 NPC108339
Remote Similarity 0.6733 NPC316797
Remote Similarity 0.6733 NPC228400
Remote Similarity 0.6733 NPC214200
Remote Similarity 0.6727 NPC470544
Remote Similarity 0.6709 NPC169110
Remote Similarity 0.6707 NPC113837
Remote Similarity 0.6707 NPC36440
Remote Similarity 0.6707 NPC289915
Remote Similarity 0.6705 NPC9796
Remote Similarity 0.6667 NPC471319
Remote Similarity 0.6667 NPC141139
Remote Similarity 0.6667 NPC191444
Remote Similarity 0.6667 NPC470545
Remote Similarity 0.6667 NPC471320
Remote Similarity 0.6667 NPC3210
Remote Similarity 0.6667 NPC159178
Remote Similarity 0.6667 NPC121872
Remote Similarity 0.6667 NPC316108
Remote Similarity 0.6667 NPC78041
Remote Similarity 0.6667 NPC21211
Remote Similarity 0.6667 NPC471307
Remote Similarity 0.6667 NPC209764
Remote Similarity 0.6667 NPC74936
Remote Similarity 0.6633 NPC469330
Remote Similarity 0.6633 NPC474974
Remote Similarity 0.6629 NPC66270
Remote Similarity 0.6629 NPC255345
Remote Similarity 0.6629 NPC245896
Remote Similarity 0.6607 NPC470546
Remote Similarity 0.6607 NPC320656
Remote Similarity 0.6604 NPC77294
Remote Similarity 0.6598 NPC226438
Remote Similarity 0.6585 NPC264470
Remote Similarity 0.6579 NPC475915
Remote Similarity 0.6579 NPC314192
Remote Similarity 0.6569 NPC469457
Remote Similarity 0.6559 NPC95429
Remote Similarity 0.6556 NPC272260
Remote Similarity 0.6542 NPC158854
Remote Similarity 0.6538 NPC275467
Remote Similarity 0.6526 NPC471638
Remote Similarity 0.6518 NPC192209
Remote Similarity 0.6484 NPC50063
Remote Similarity 0.6484 NPC184030
Remote Similarity 0.6484 NPC164449
Remote Similarity 0.6476 NPC211551
Remote Similarity 0.6471 NPC5324
Remote Similarity 0.6465 NPC7067
Remote Similarity 0.6465 NPC471309
Remote Similarity 0.6465 NPC71140
Remote Similarity 0.646 NPC220698
Remote Similarity 0.6458 NPC30445
Remote Similarity 0.6455 NPC187036
Remote Similarity 0.6444 NPC103488
Remote Similarity 0.6437 NPC212463
Remote Similarity 0.6435 NPC71684
Remote Similarity 0.6429 NPC245259
Remote Similarity 0.6415 NPC473498
Remote Similarity 0.641 NPC307020
Remote Similarity 0.64 NPC58674
Remote Similarity 0.6396 NPC33742
Remote Similarity 0.6381 NPC224610
Remote Similarity 0.6381 NPC113326
Remote Similarity 0.6381 NPC88267
Remote Similarity 0.6381 NPC194390
Remote Similarity 0.6381 NPC469974
Remote Similarity 0.6379 NPC317474
Remote Similarity 0.6379 NPC109151
Remote Similarity 0.6379 NPC213126
Remote Similarity 0.6379 NPC291027
Remote Similarity 0.6379 NPC84281
Remote Similarity 0.6379 NPC169485
Remote Similarity 0.6374 NPC151405
Remote Similarity 0.6374 NPC139901
Remote Similarity 0.6372 NPC313449

Drug Structure

External Identifiers

TTD   DIB004669
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  282.22
ALogP  -0.761
MLogP  3.55
XLogP  8.427
HDA  0
HBD  0
Rotatable Bonds  10
TPSA  0
RO5 Violation  1