Drug Information

Drug ID:  NPD8576
Drug Name:  Succinimide
Molecular Formula:  C4H5NO2
Canonical SMILES:  OC1=NC(=O)CC1
Standard InCHI:  InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Standard InCHIKey:  KZNICNPSHKQLFF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8576

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 NPC33721
Intermediate Similarity 0.8 NPC21142
Intermediate Similarity 0.7368 NPC145895
Remote Similarity 0.66 NPC29950
Remote Similarity 0.66 NPC19576
Remote Similarity 0.6486 NPC290188
Remote Similarity 0.6078 NPC327239
Remote Similarity 0.5962 NPC471131
Remote Similarity 0.5833 NPC43264
Remote Similarity 0.5789 NPC292299
Remote Similarity 0.5789 NPC34838
Remote Similarity 0.569 NPC263207

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  99.03
ALogP  -0.7817
MLogP  1.57
XLogP  -0.312
HDA  3
HBD  1
Rotatable Bonds  1
TPSA  49.66
RO5 Violation  0