Drug Information

Drug ID:  NPD8232
Drug Name:  Lesogaberan
Molecular Formula:  C3H9FNO2P
Canonical SMILES:  NC[C@H](CP(=O)O)F
Standard InCHI:  InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
Standard InCHIKey:  LJNUIEQATDYXJH-GSVOUGTGSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8232

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 0.8621 NPC258912
Remote Similarity 0.6389 NPC292422

Drug Structure

External Identifiers

TTD   DCL000466
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   16686147
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  141.04
ALogP  -0.9732
MLogP  1.24
XLogP  -1.124
HDA  3
HBD  2
Rotatable Bonds  6
TPSA  86.79
RO5 Violation  0