Drug Information

Drug ID:  NPD9755
Drug Name:  
Molecular Formula:  CH3O5P
Canonical SMILES:  [O-]C(=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)/p-3
Standard InCHIKey:  ZJAOAACCNHFJAH-UHFFFAOYSA-K
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9755

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 0.8667 NPC117466

Drug Structure

External Identifiers

TTD   DAP001383
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   44561
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  122.95
ALogP  -2.4908
MLogP  0.91
XLogP  -2.608
HDA  5
HBD  0
Rotatable Bonds  4
TPSA  113.13
RO5 Violation  0