Drug Information

Drug ID:  NPD9438
Drug Name:  
Molecular Formula:  C8H15NO2
Canonical SMILES:  NCC1CCC(CC1)C(=O)O
Standard InCHI:  InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
Standard InCHIKey:  GYDJEQRTZSCIOI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9438

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 1.0 NPC319279
Intermediate Similarity 0.8167 NPC302188
Intermediate Similarity 0.8 NPC50457
Intermediate Similarity 0.7547 NPC323974
Remote Similarity 0.6949 NPC155512
Remote Similarity 0.6897 NPC226027
Remote Similarity 0.6897 NPC324825
Remote Similarity 0.6897 NPC62045
Remote Similarity 0.6897 NPC43204
Remote Similarity 0.6897 NPC84636
Remote Similarity 0.6897 NPC316231
Remote Similarity 0.6897 NPC112890
Remote Similarity 0.6897 NPC162620
Remote Similarity 0.6897 NPC245027
Remote Similarity 0.6897 NPC174246
Remote Similarity 0.6727 NPC276294
Remote Similarity 0.6667 NPC314679
Remote Similarity 0.6545 NPC248763
Remote Similarity 0.6545 NPC325452
Remote Similarity 0.6522 NPC188231
Remote Similarity 0.6522 NPC222327
Remote Similarity 0.6491 NPC55023
Remote Similarity 0.6452 NPC279661
Remote Similarity 0.6452 NPC183845
Remote Similarity 0.6441 NPC324793
Remote Similarity 0.6441 NPC477878
Remote Similarity 0.6406 NPC278209
Remote Similarity 0.6364 NPC329564
Remote Similarity 0.6364 NPC327170
Remote Similarity 0.6338 NPC15864
Remote Similarity 0.6308 NPC176164
Remote Similarity 0.6308 NPC189301
Remote Similarity 0.6271 NPC21844
Remote Similarity 0.6212 NPC276928
Remote Similarity 0.6212 NPC317143
Remote Similarity 0.6212 NPC64250
Remote Similarity 0.6212 NPC316826
Remote Similarity 0.6212 NPC321468
Remote Similarity 0.6212 NPC327748
Remote Similarity 0.6212 NPC254541
Remote Similarity 0.6212 NPC268927
Remote Similarity 0.6212 NPC320598
Remote Similarity 0.6207 NPC118459
Remote Similarity 0.6207 NPC327698
Remote Similarity 0.6182 NPC3531
Remote Similarity 0.6167 NPC140872
Remote Similarity 0.6167 NPC93081
Remote Similarity 0.6154 NPC317147
Remote Similarity 0.6154 NPC318260
Remote Similarity 0.6111 NPC252843
Remote Similarity 0.6066 NPC476469
Remote Similarity 0.6061 NPC190385
Remote Similarity 0.6056 NPC314221
Remote Similarity 0.6056 NPC60424
Remote Similarity 0.6034 NPC126925
Remote Similarity 0.6034 NPC132307
Remote Similarity 0.6034 NPC325097
Remote Similarity 0.6 NPC268826
Remote Similarity 0.6 NPC18188
Remote Similarity 0.6 NPC234767
Remote Similarity 0.6 NPC101249
Remote Similarity 0.5952 NPC304454
Remote Similarity 0.5938 NPC72722
Remote Similarity 0.5926 NPC134782
Remote Similarity 0.5926 NPC155263
Remote Similarity 0.5915 NPC230047
Remote Similarity 0.5915 NPC19311
Remote Similarity 0.5915 NPC469791
Remote Similarity 0.5893 NPC154186
Remote Similarity 0.5893 NPC214610
Remote Similarity 0.5893 NPC279026
Remote Similarity 0.5893 NPC261080
Remote Similarity 0.5893 NPC301585
Remote Similarity 0.5893 NPC118968
Remote Similarity 0.5893 NPC294085
Remote Similarity 0.5893 NPC301696
Remote Similarity 0.5893 NPC201844
Remote Similarity 0.5893 NPC14227
Remote Similarity 0.5893 NPC183424
Remote Similarity 0.5893 NPC113928
Remote Similarity 0.5882 NPC68974
Remote Similarity 0.5873 NPC322946
Remote Similarity 0.5867 NPC315897
Remote Similarity 0.5833 NPC477931
Remote Similarity 0.5833 NPC268736
Remote Similarity 0.5833 NPC42060
Remote Similarity 0.5814 NPC135005
Remote Similarity 0.5753 NPC41542
Remote Similarity 0.5753 NPC130459
Remote Similarity 0.5753 NPC478180
Remote Similarity 0.5753 NPC474221
Remote Similarity 0.5714 NPC137958
Remote Similarity 0.5714 NPC273330
Remote Similarity 0.5694 NPC470108
Remote Similarity 0.569 NPC196924
Remote Similarity 0.569 NPC307783
Remote Similarity 0.569 NPC171736
Remote Similarity 0.569 NPC216630
Remote Similarity 0.569 NPC209970
Remote Similarity 0.569 NPC149184
Remote Similarity 0.5676 NPC470956
Remote Similarity 0.5676 NPC100917
Remote Similarity 0.5676 NPC281203
Remote Similarity 0.5676 NPC469724
Remote Similarity 0.5676 NPC31187
Remote Similarity 0.5663 NPC320936
Remote Similarity 0.5652 NPC475821
Remote Similarity 0.5652 NPC469924
Remote Similarity 0.5645 NPC193872
Remote Similarity 0.5634 NPC474552
Remote Similarity 0.5616 NPC322035
Remote Similarity 0.5616 NPC100719
Remote Similarity 0.5616 NPC166791
Remote Similarity 0.5616 NPC470109
Remote Similarity 0.56 NPC252032
Remote Similarity 0.56 NPC319671
Remote Similarity 0.56 NPC469941
Remote Similarity 0.56 NPC476734
Remote Similarity 0.56 NPC64466
Remote Similarity 0.56 NPC196197

Drug Structure

External Identifiers

TTD   DAP000199
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5526
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  157.11
ALogP  -0.4065
MLogP  2.01
XLogP  0.298
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  63.32
RO5 Violation  0