Drug Information

Drug ID:  NPD2232
Drug Name:  Tramadol
Molecular Formula:  C16H25NO2
Canonical SMILES:  COc1cccc(c1)C1(O)CCCCC1CN(C)C
Standard InCHI:  InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
Standard InCHIKey:  TVYLLZQTGLZFBW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2232

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

Drug Structure

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External Identifiers

TTD   DAP000140
DrugBank  
ChEMBL  
IUPHAR/BPS   8286
PharmaGKB  
KEGG Drug  
PubChem CID   5523
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  263.19
ALogP  -0.9385
MLogP  2.89
XLogP  2.881
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  32.7
RO5 Violation  0