Drug Information

Drug ID:  NPD4824
Drug Name:  Cetylpyridinium
Molecular Formula:  C21H38N
Canonical SMILES:  CCCCCCCCCCCCCCCC[n+]1ccccc1
Standard InCHI:  InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1
Standard InCHIKey:  NEUSVAOJNUQRTM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4824

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 0.9196 NPC240136
High Similarity 0.9196 NPC297486
High Similarity 0.9196 NPC471402
High Similarity 0.8952 NPC83987
High Similarity 0.8814 NPC476322
High Similarity 0.8807 NPC231655
High Similarity 0.8739 NPC27802
High Similarity 0.8729 NPC290094
High Similarity 0.8636 NPC76540
High Similarity 0.8559 NPC48564
High Similarity 0.8559 NPC265605
High Similarity 0.8559 NPC182570
High Similarity 0.8512 NPC169625
High Similarity 0.8512 NPC202957
Intermediate Similarity 0.8487 NPC329825
Intermediate Similarity 0.8462 NPC91958
Intermediate Similarity 0.8455 NPC476131
Intermediate Similarity 0.8443 NPC471311
Intermediate Similarity 0.8443 NPC471313
Intermediate Similarity 0.8387 NPC69914
Intermediate Similarity 0.8374 NPC89490
Intermediate Similarity 0.8306 NPC475090
Intermediate Similarity 0.8306 NPC475105
Intermediate Similarity 0.8306 NPC329896
Intermediate Similarity 0.8305 NPC143603
Intermediate Similarity 0.819 NPC473901
Intermediate Similarity 0.8175 NPC471322
Intermediate Similarity 0.8103 NPC235843
Intermediate Similarity 0.8073 NPC213774
Intermediate Similarity 0.8049 NPC27740
Intermediate Similarity 0.7984 NPC146373
Intermediate Similarity 0.7984 NPC245244
Intermediate Similarity 0.7984 NPC166424
Intermediate Similarity 0.7967 NPC46358
Intermediate Similarity 0.7899 NPC84268
Intermediate Similarity 0.7863 NPC314102
Intermediate Similarity 0.7863 NPC251722
Intermediate Similarity 0.7863 NPC471312
Intermediate Similarity 0.7833 NPC476566
Intermediate Similarity 0.7787 NPC11863
Intermediate Similarity 0.7744 NPC315348
Intermediate Similarity 0.7744 NPC316811
Intermediate Similarity 0.7744 NPC32002
Intermediate Similarity 0.7742 NPC56856
Intermediate Similarity 0.7727 NPC150259
Intermediate Similarity 0.7674 NPC282398
Intermediate Similarity 0.7615 NPC101165
Intermediate Similarity 0.7615 NPC324611
Intermediate Similarity 0.7615 NPC256893
Intermediate Similarity 0.7609 NPC477974
Intermediate Similarity 0.7594 NPC65408
Intermediate Similarity 0.7518 NPC471323
Intermediate Similarity 0.75 NPC135488
Intermediate Similarity 0.7442 NPC212125
Intermediate Similarity 0.7426 NPC469783
Intermediate Similarity 0.7426 NPC469784
Intermediate Similarity 0.7426 NPC469761
Intermediate Similarity 0.7426 NPC469779
Intermediate Similarity 0.7426 NPC469768
Intermediate Similarity 0.7426 NPC469780
Intermediate Similarity 0.7426 NPC469767
Intermediate Similarity 0.7376 NPC40070
Intermediate Similarity 0.7372 NPC469766
Intermediate Similarity 0.7353 NPC73767
Intermediate Similarity 0.7339 NPC81561
Intermediate Similarity 0.7319 NPC477977
Intermediate Similarity 0.7315 NPC14223
Intermediate Similarity 0.7287 NPC151489
Intermediate Similarity 0.7279 NPC169433
Intermediate Similarity 0.7273 NPC315320
Intermediate Similarity 0.7259 NPC29886
Intermediate Similarity 0.7259 NPC261195
Intermediate Similarity 0.7258 NPC148140
Intermediate Similarity 0.7252 NPC313823
Intermediate Similarity 0.7226 NPC110126
Intermediate Similarity 0.7218 NPC82295
Intermediate Similarity 0.7206 NPC84911
Intermediate Similarity 0.7203 NPC470233
Intermediate Similarity 0.7176 NPC165370
Intermediate Similarity 0.7176 NPC306397
Intermediate Similarity 0.7132 NPC328029
Intermediate Similarity 0.7132 NPC96102
Intermediate Similarity 0.7123 NPC129721
Intermediate Similarity 0.7122 NPC476454
Intermediate Similarity 0.7121 NPC471589
Intermediate Similarity 0.7113 NPC470111
Intermediate Similarity 0.7101 NPC104483
Intermediate Similarity 0.708 NPC105127
Intermediate Similarity 0.7071 NPC20144
Intermediate Similarity 0.7055 NPC476464
Intermediate Similarity 0.7037 NPC322488
Intermediate Similarity 0.7031 NPC215519
Intermediate Similarity 0.7014 NPC105818
Intermediate Similarity 0.7014 NPC24678
Intermediate Similarity 0.7008 NPC162689
Intermediate Similarity 0.7008 NPC54102
Intermediate Similarity 0.7007 NPC29702
Intermediate Similarity 0.7 NPC477975
Remote Similarity 0.6993 NPC201380
Remote Similarity 0.6993 NPC179787
Remote Similarity 0.6972 NPC86288
Remote Similarity 0.6972 NPC314372
Remote Similarity 0.6963 NPC174421
Remote Similarity 0.696 NPC143156
Remote Similarity 0.6959 NPC56765
Remote Similarity 0.6957 NPC472288
Remote Similarity 0.695 NPC190296
Remote Similarity 0.6947 NPC122718
Remote Similarity 0.6944 NPC321911
Remote Similarity 0.694 NPC71236
Remote Similarity 0.6933 NPC478182
Remote Similarity 0.6929 NPC279081
Remote Similarity 0.6923 NPC63545
Remote Similarity 0.6918 NPC25008
Remote Similarity 0.6918 NPC259644
Remote Similarity 0.6918 NPC469760
Remote Similarity 0.6918 NPC73952
Remote Similarity 0.6918 NPC469763
Remote Similarity 0.6918 NPC469786
Remote Similarity 0.6918 NPC469765
Remote Similarity 0.6912 NPC330326
Remote Similarity 0.6897 NPC53947
Remote Similarity 0.6875 NPC469811
Remote Similarity 0.6871 NPC212376
Remote Similarity 0.6871 NPC75540
Remote Similarity 0.6871 NPC211572
Remote Similarity 0.6871 NPC70922
Remote Similarity 0.6871 NPC80597
Remote Similarity 0.6867 NPC71079
Remote Similarity 0.6853 NPC285731
Remote Similarity 0.6846 NPC477591
Remote Similarity 0.6842 NPC98187
Remote Similarity 0.6824 NPC51054
Remote Similarity 0.6821 NPC474217
Remote Similarity 0.6821 NPC90723
Remote Similarity 0.6812 NPC198988
Remote Similarity 0.6809 NPC2949
Remote Similarity 0.6809 NPC59084
Remote Similarity 0.6809 NPC230002
Remote Similarity 0.6806 NPC288838
Remote Similarity 0.6803 NPC325903
Remote Similarity 0.6803 NPC200214
Remote Similarity 0.6791 NPC278451
Remote Similarity 0.6786 NPC104049
Remote Similarity 0.6783 NPC230085
Remote Similarity 0.6783 NPC159630
Remote Similarity 0.6779 NPC469897
Remote Similarity 0.6776 NPC85918
Remote Similarity 0.6761 NPC473868
Remote Similarity 0.6761 NPC63157
Remote Similarity 0.6759 NPC471957
Remote Similarity 0.6755 NPC471177
Remote Similarity 0.6755 NPC124542
Remote Similarity 0.6755 NPC59779
Remote Similarity 0.6736 NPC159856
Remote Similarity 0.6736 NPC469525
Remote Similarity 0.6736 NPC467188
Remote Similarity 0.6733 NPC293487
Remote Similarity 0.6733 NPC318065
Remote Similarity 0.6733 NPC206819
Remote Similarity 0.6732 NPC278366
Remote Similarity 0.6732 NPC127730
Remote Similarity 0.6716 NPC476140
Remote Similarity 0.6714 NPC114310
Remote Similarity 0.6711 NPC476446
Remote Similarity 0.6711 NPC469785
Remote Similarity 0.6711 NPC469813
Remote Similarity 0.6711 NPC78375
Remote Similarity 0.669 NPC143872
Remote Similarity 0.6689 NPC44773
Remote Similarity 0.6689 NPC138842
Remote Similarity 0.6689 NPC215584
Remote Similarity 0.6667 NPC41174
Remote Similarity 0.6667 NPC469762
Remote Similarity 0.6667 NPC286427
Remote Similarity 0.6667 NPC193740
Remote Similarity 0.6667 NPC167635
Remote Similarity 0.6667 NPC471178
Remote Similarity 0.6667 NPC236711
Remote Similarity 0.6645 NPC116961
Remote Similarity 0.6645 NPC470203
Remote Similarity 0.6644 NPC105811
Remote Similarity 0.6644 NPC34844
Remote Similarity 0.6643 NPC325252
Remote Similarity 0.6623 NPC41257
Remote Similarity 0.6623 NPC478183
Remote Similarity 0.6623 NPC80681
Remote Similarity 0.6622 NPC70406
Remote Similarity 0.6622 NPC470823
Remote Similarity 0.6622 NPC472260
Remote Similarity 0.662 NPC88097
Remote Similarity 0.6603 NPC201634
Remote Similarity 0.6601 NPC311276
Remote Similarity 0.6601 NPC478184
Remote Similarity 0.6601 NPC473057
Remote Similarity 0.6601 NPC40779
Remote Similarity 0.6579 NPC25899
Remote Similarity 0.6579 NPC470204
Remote Similarity 0.6577 NPC141926
Remote Similarity 0.6575 NPC316069

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  304.30
ALogP  -5.413
MLogP  3.66
XLogP  9.705
HDA  0
HBD  0
Rotatable Bonds  16
TPSA  3.88
RO5 Violation  2