Drug Information

Drug ID:  NPD8601
Drug Name:  Ferrous Tartrate
Molecular Formula:  C4H6O6.Fe
Canonical SMILES:  OC(C(C(=O)[O-])O)C(=O)[O-].[Fe+2]
Standard InCHI:  "InChI=1S/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2"
Standard InCHIKey:  OHZCFWMJMWFNFP-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8601

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 NPC100749
Remote Similarity 0.6667 NPC326760
Remote Similarity 0.6429 NPC320218
Remote Similarity 0.6429 NPC317121
Remote Similarity 0.6429 NPC152099
Remote Similarity 0.625 NPC329534
Remote Similarity 0.625 NPC316493
Remote Similarity 0.625 NPC317436
Remote Similarity 0.5882 NPC231722
Remote Similarity 0.5882 NPC192400
Remote Similarity 0.5882 NPC325303
Remote Similarity 0.5882 NPC20286
Remote Similarity 0.5882 NPC19045
Remote Similarity 0.5882 NPC22339
Remote Similarity 0.5789 NPC185339
Remote Similarity 0.5714 NPC165123
Remote Similarity 0.5556 NPC318721
Remote Similarity 0.5556 NPC322601
Remote Similarity 0.5556 NPC328411
Remote Similarity 0.5263 NPC318059
Remote Similarity 0.5263 NPC317412

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  148
ALogP  -3.07
MLogP  1.24
XLogP  -3.2
HDA  6
HBD  2
Rotatable Bonds  7
TPSA  120.72
RO5 Violation  0