Drug Information

Drug ID:  NPD55
Drug Name:  Magnesium Lactate
Molecular Formula:  2C3H6O3.Mg
Canonical SMILES:  [O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[Mg+2]
Standard InCHI:  InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
Standard InCHIKey:  OVGXLJDWSLQDRT-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD55

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 NPC76217
High Similarity 0.9655 NPC307739
High Similarity 0.875 NPC325165
Intermediate Similarity 0.8485 NPC103612
Intermediate Similarity 0.8485 NPC5505
Intermediate Similarity 0.8485 NPC24967
Intermediate Similarity 0.8214 NPC165122
Intermediate Similarity 0.7941 NPC159089
Intermediate Similarity 0.7778 NPC316217
Intermediate Similarity 0.7778 NPC222792
Intermediate Similarity 0.7419 NPC316272
Intermediate Similarity 0.7333 NPC286233
Intermediate Similarity 0.7273 NPC261351
Intermediate Similarity 0.7273 NPC212144
Intermediate Similarity 0.7188 NPC270334
Intermediate Similarity 0.7 NPC319680
Remote Similarity 0.6923 NPC192402
Remote Similarity 0.6923 NPC19044
Remote Similarity 0.6923 NPC24751
Remote Similarity 0.6923 NPC325307
Remote Similarity 0.6923 NPC322956
Remote Similarity 0.6923 NPC97444
Remote Similarity 0.6923 NPC100742
Remote Similarity 0.6923 NPC35661
Remote Similarity 0.6923 NPC121018
Remote Similarity 0.6667 NPC168052
Remote Similarity 0.6667 NPC114270
Remote Similarity 0.6667 NPC191084
Remote Similarity 0.6667 NPC292641
Remote Similarity 0.6667 NPC250870
Remote Similarity 0.6585 NPC318951
Remote Similarity 0.6552 NPC181153
Remote Similarity 0.6471 NPC5934
Remote Similarity 0.6452 NPC82694
Remote Similarity 0.6452 NPC140389
Remote Similarity 0.6429 NPC242655
Remote Similarity 0.6429 NPC38891
Remote Similarity 0.6364 NPC88135
Remote Similarity 0.6333 NPC307812
Remote Similarity 0.6286 NPC329270
Remote Similarity 0.625 NPC320331
Remote Similarity 0.625 NPC127134
Remote Similarity 0.619 NPC320624
Remote Similarity 0.6154 NPC328950
Remote Similarity 0.6129 NPC157340
Remote Similarity 0.6071 NPC68873
Remote Similarity 0.6061 NPC272307
Remote Similarity 0.6 NPC198126
Remote Similarity 0.5946 NPC127142
Remote Similarity 0.5946 NPC307027
Remote Similarity 0.5938 NPC41485
Remote Similarity 0.5938 NPC32280
Remote Similarity 0.587 NPC328954
Remote Similarity 0.5862 NPC301950
Remote Similarity 0.5862 NPC163707
Remote Similarity 0.5833 NPC281883
Remote Similarity 0.5806 NPC8187
Remote Similarity 0.5789 NPC316685
Remote Similarity 0.5758 NPC230726
Remote Similarity 0.5758 NPC149209
Remote Similarity 0.5758 NPC314668
Remote Similarity 0.5758 NPC166804
Remote Similarity 0.5714 NPC149567
Remote Similarity 0.5714 NPC232172
Remote Similarity 0.5676 NPC217218
Remote Similarity 0.5625 NPC110107

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  89.02
ALogP  -1.4837
MLogP  1.46
XLogP  -1.072
HDA  3
HBD  1
Rotatable Bonds  4
TPSA  60.36
RO5 Violation  0