Drug Information

Drug ID:  NPD8220
Drug Name:  Sodium Glycerophosphate
Molecular Formula:  C3H7O6P.2Na
Canonical SMILES:  [O-]CC(COP(=O)(O)O)[O-].[Na+].[Na+]
Standard InCHI:  InChI=1S/C3H7O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3H,1-2H2,(H2,6,7,8);;/q-2;2*+1
Standard InCHIKey:  ZFWBICOQSSBMLW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8220

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
Intermediate Similarity 0.8276 NPC266566
Intermediate Similarity 0.8276 NPC321170
Intermediate Similarity 0.8276 NPC31433
Intermediate Similarity 0.7407 NPC317545
Intermediate Similarity 0.7 NPC306022
Remote Similarity 0.6897 NPC68114
Remote Similarity 0.6429 NPC314978
Remote Similarity 0.6389 NPC328950
Remote Similarity 0.6333 NPC120097
Remote Similarity 0.6316 NPC322956
Remote Similarity 0.6316 NPC325307
Remote Similarity 0.6061 NPC329270
Remote Similarity 0.6 NPC318951
Remote Similarity 0.6 NPC320624
Remote Similarity 0.5862 NPC157340
Remote Similarity 0.5714 NPC327597
Remote Similarity 0.5625 NPC33415
Remote Similarity 0.5625 NPC301586
Remote Similarity 0.56 NPC317825

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  170.00
ALogP  -2.0115
MLogP  1.02
XLogP  -3.109
HDA  6
HBD  2
Rotatable Bonds  8
TPSA  122.69
RO5 Violation  0