Drug Information

Drug ID:  NPD7379
Drug Name:  
Molecular Formula:  C2H7N5
Canonical SMILES:  NC(=N)NC(=N)N
Standard InCHI:  InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)
Standard InCHIKey:  XNCOSPRUTUOJCJ-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7379

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 0.6667 NPC230775
Remote Similarity 0.625 NPC20535

Drug Structure

External Identifiers

TTD   DIB003068
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5939
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  101.07
ALogP  -0.4277
MLogP  1.13
XLogP  -0.468
HDA  5
HBD  5
Rotatable Bonds  4
TPSA  111.77
RO5 Violation  0