Drug Information

Drug ID:  NPD8235
Drug Name:  Calcium Glycerylphosphate
Molecular Formula:  C3H9O6P.Ca
Canonical SMILES:  OCC(OP(=O)([O-])[O-])CO.[Ca+2]
Standard InCHI:  InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
Standard InCHIKey:  UHHRFSOMMCWGSO-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8235

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 0.9655 NPC31433
High Similarity 0.9655 NPC266566
High Similarity 0.9655 NPC321170
Intermediate Similarity 0.8214 NPC317545
Intermediate Similarity 0.7368 NPC322956
Intermediate Similarity 0.7368 NPC325307
Intermediate Similarity 0.7241 NPC157340
Intermediate Similarity 0.7027 NPC328950
Remote Similarity 0.6875 NPC33415
Remote Similarity 0.6875 NPC301586
Remote Similarity 0.6667 NPC314978
Remote Similarity 0.6667 NPC114270
Remote Similarity 0.6585 NPC320624
Remote Similarity 0.6585 NPC318951
Remote Similarity 0.6562 NPC320326
Remote Similarity 0.6512 NPC81384
Remote Similarity 0.6452 NPC140389
Remote Similarity 0.6286 NPC197207
Remote Similarity 0.6286 NPC182541
Remote Similarity 0.6286 NPC329270
Remote Similarity 0.6286 NPC149070
Remote Similarity 0.6286 NPC127074
Remote Similarity 0.6286 NPC187058
Remote Similarity 0.6222 NPC325822
Remote Similarity 0.6222 NPC328954
Remote Similarity 0.6222 NPC61270
Remote Similarity 0.6176 NPC306022
Remote Similarity 0.6087 NPC329128
Remote Similarity 0.6087 NPC322158
Remote Similarity 0.6061 NPC68114
Remote Similarity 0.5957 NPC329095
Remote Similarity 0.5938 NPC88887
Remote Similarity 0.5862 NPC236761
Remote Similarity 0.5833 NPC325153
Remote Similarity 0.5833 NPC103672
Remote Similarity 0.5833 NPC321102
Remote Similarity 0.5833 NPC278465
Remote Similarity 0.5833 NPC322803
Remote Similarity 0.5833 NPC320043
Remote Similarity 0.5789 NPC66052
Remote Similarity 0.5789 NPC293908
Remote Similarity 0.5789 NPC86412
Remote Similarity 0.5789 NPC192065
Remote Similarity 0.5789 NPC325034
Remote Similarity 0.5778 NPC314613
Remote Similarity 0.5714 NPC317626
Remote Similarity 0.5714 NPC149567
Remote Similarity 0.5714 NPC314821
Remote Similarity 0.5714 NPC317501
Remote Similarity 0.5641 NPC159089

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  170.00
ALogP  -2.6995
MLogP  1.02
XLogP  -3.109
HDA  6
HBD  2
Rotatable Bonds  8
TPSA  122.69
RO5 Violation  0