Drug Information

Drug ID:  NPD9761
Drug Name:  Urea C 14
Molecular Formula:  CH4N2O
Canonical SMILES:  N[14C](=N)O
Standard InCHI:  InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+2
Standard InCHIKey:  XSQUKJJJFZCRTK-NJFSPNSNSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9761

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 NPC142330
Remote Similarity 0.6667 NPC20535

Drug Structure

External Identifiers

TTD  
DrugBank   DB09513
ChEMBL   CHEMBL2096635
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   134711
CAS Number  594-05-8

Drug Properties

Molecular Weight  60.03
ALogP  -0.0745
MLogP  1.24
XLogP  -0.235
HDA  3
HBD  3
Rotatable Bonds  2
TPSA  70.1
RO5 Violation  0