Drug Information

Drug ID:  NPD8604
Drug Name:  Potassium Hydrogentartrate
Molecular Formula:  C4H6O6.K
Canonical SMILES:  [O-]C(=O)C(C(C(=O)O)O)O.[K+]
Standard InCHI:  "InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1"
Standard InCHIKey:  KYKNRZGSIGMXFH-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8604

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9444 NPC185339
Remote Similarity 0.6667 NPC100742
Remote Similarity 0.6667 NPC97444
Remote Similarity 0.6667 NPC24751
Remote Similarity 0.6667 NPC600047
Remote Similarity 0.6111 NPC307739
Remote Similarity 0.6111 NPC76217
Remote Similarity 0.6111 NPC100749
Remote Similarity 0.6111 NPC178595
Remote Similarity 0.6111 NPC607709
Remote Similarity 0.6111 NPC609616
Remote Similarity 0.6111 NPC611841
Remote Similarity 0.6 NPC222792
Remote Similarity 0.6 NPC316217
Remote Similarity 0.6 NPC602868
Remote Similarity 0.6 NPC603429
Remote Similarity 0.5909 NPC69289
Remote Similarity 0.55 NPC88579
Remote Similarity 0.55 NPC216980
Remote Similarity 0.55 NPC319132
Remote Similarity 0.55 NPC3525
Remote Similarity 0.5417 NPC13243
Remote Similarity 0.5263 NPC212144
Remote Similarity 0.5238 NPC717
Remote Similarity 0.5238 NPC321766
Remote Similarity 0.5238 NPC5505
Remote Similarity 0.5238 NPC320275
Remote Similarity 0.5238 NPC64777
Remote Similarity 0.5238 NPC230995
Remote Similarity 0.5238 NPC575868
Remote Similarity 0.5217 NPC251825
Remote Similarity 0.5217 NPC298999
Remote Similarity 0.5217 NPC325748
Remote Similarity 0.5217 NPC607893

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   0
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  149.01
ALogP  -2.3922
MLogP  1.24
XLogP  -2.719
HDA  6
HBD  3
Rotatable Bonds  7
TPSA  117.89
RO5 Violation  0