Drug Information

Drug ID:  NPD8198
Drug Name:  D-Cycloserine; Cycloserine
Molecular Formula:  C3H6N2O2
Canonical SMILES:  N[C@@H]1CON=C1O
Standard InCHI:  InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
Standard InCHIKey:  DYDCUQKUCUHJBH-UWTATZPHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD8198

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 NPC105488
Remote Similarity 0.6341 NPC84444
Remote Similarity 0.6341 NPC145217
Remote Similarity 0.623 NPC118524
Remote Similarity 0.6226 NPC329495
Remote Similarity 0.6 NPC297220
Remote Similarity 0.6 NPC470666
Remote Similarity 0.5833 NPC219143
Remote Similarity 0.5833 NPC226265
Remote Similarity 0.5769 NPC153370
Remote Similarity 0.5652 NPC25237
Remote Similarity 0.5641 NPC262962

Drug Structure

External Identifiers

TTD   DAP001468; DAP001335
DrugBank   DB00260
ChEMBL   CHEMBL771
IUPHAR/BPS   9489
PharmaGKB   PA164764600
KEGG Drug  
PubChem CID   6234
ChEBI   40009
CAS Number  68-41-7

Drug Properties

Molecular Weight  102.04
ALogP  -1.1311
MLogP  1.35
XLogP  -0.024
HDA  2
HBD  2
Rotatable Bonds  2
TPSA  67.84
RO5 Violation  0