Drug Information

Drug ID:  NPD9355
Drug Name:  Mimosine
Molecular Formula:  C8H10N2O4
Canonical SMILES:  OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N
Standard InCHI:  InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
Standard InCHIKey:  WZNJWVWKTVETCG-YFKPBYRVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9355

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 1.0 NPC126293
Remote Similarity 0.6962 NPC192521
Remote Similarity 0.6234 NPC66789
Remote Similarity 0.597 NPC305607
Remote Similarity 0.5823 NPC133758
Remote Similarity 0.5823 NPC4668
Remote Similarity 0.5676 NPC10915
Remote Similarity 0.5625 NPC236322
Remote Similarity 0.5606 NPC237525
Remote Similarity 0.5606 NPC326212

Drug Structure

External Identifiers

TTD   DNC000947
DrugBank   DB01055
ChEMBL   CHEMBL245416
IUPHAR/BPS  
PharmaGKB   PA164752445
KEGG Drug  
PubChem CID  
ChEBI   29063
CAS Number  500-44-7

Drug Properties

Molecular Weight  198.06
ALogP  -2.162
MLogP  1.68
XLogP  -2.372
HDA  6
HBD  3
Rotatable Bonds  6
TPSA  103.86
RO5 Violation  0