Drug Information

Drug ID:  NPD9754
Drug Name:  Foscarnet
Molecular Formula:  CH3O5P
Canonical SMILES:  OC(=O)P(=O)(O)O
Standard InCHI:  InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
Standard InCHIKey:  ZJAOAACCNHFJAH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9754

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 NPC117466

Drug Structure

External Identifiers

TTD   DAP001383; DAP000056
DrugBank   DB00529
ChEMBL   CHEMBL666
IUPHAR/BPS   5497
PharmaGKB   PA449706
KEGG Drug   D00579
PubChem CID   3415
ChEBI   127780
CAS Number  4428-95-9

Drug Properties

Molecular Weight  125.97
ALogP  -0.4574
MLogP  0.91
XLogP  -2.127
HDA  5
HBD  3
Rotatable Bonds  4
TPSA  104.64
RO5 Violation  0