Drug Information

Drug ID:  NPD1792
Drug Name:  Faxeladol
Molecular Formula:  C15H23NO
Canonical SMILES:  CN(C[C@@H]1CCCC[C@H]1c1cccc(c1)O)C
Standard InCHI:  InChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t13-,15-/m0/s1
Standard InCHIKey:  JIRYWFYYBBRJAN-ZFWWWQNUSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1792

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

This browser does not support HTML5/Canvas.

External Identifiers

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

Drug Properties

Molecular Weight  233.18
ALogP  -0.6361
MLogP  2.89
XLogP  3.905
HDA  1
HBD  1
Rotatable Bonds  6
TPSA  23.47
RO5 Violation  0