Drug Information

Drug ID:  NPD8592
Drug Name:  Ferrous Succinate
Molecular Formula:  C4H6O4.Fe
Canonical SMILES:  [O-]C(=O)CCC(=O)[O-].[Fe+2]
Standard InCHI:  "InChI=1S/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2"
Standard InCHIKey:  MDXRFOWKIZPNTA-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8592

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 1.0 NPC169697
Remote Similarity 0.5833 NPC238637
Remote Similarity 0.5714 NPC320914
Remote Similarity 0.5714 NPC260610
Remote Similarity 0.5714 NPC318872
Remote Similarity 0.5714 NPC57349
Remote Similarity 0.5714 NPC149193
Remote Similarity 0.5455 NPC68874
Remote Similarity 0.5455 NPC327795
Remote Similarity 0.5333 NPC325257
Remote Similarity 0.5333 NPC320703
Remote Similarity 0.5333 NPC320982
Remote Similarity 0.5294 NPC560137

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  116.01
ALogP  -1.7656
MLogP  1.46
XLogP  -1.672
HDA  4
HBD  0
Rotatable Bonds  5
TPSA  80.26
RO5 Violation  0