Drug Information

Drug ID:  NPD9428
Drug Name:  Mebicar
Molecular Formula:  C8H14N4O2
Canonical SMILES:  CN1C(=O)N(C2C1N(C)C(=O)N2C)C
Standard InCHI:  InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3
Standard InCHIKey:  XIUUSFJTJXFNGH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9428

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
Remote Similarity 0.5926 NPC474992

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  198.11
ALogP  -0.5818
MLogP  1.68
XLogP  -1.014
HDA  6
HBD  0
Rotatable Bonds  4
TPSA  47.1
RO5 Violation  0