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PUBCHEM-ZINC01998320

 MMsINC code: MMs02840725
Type: Neutral
Formula: C5H11NO3
SMILES:   O(C(=O)CON)CCC
InChI:   InChI=1/C5H11NO3/c1-2-3-8-5(7)4-9-6/h2-4,6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.147 g/mol  logS: -0.75625  SlogP: -0.1701  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0341863  Sterimol/B1: 2.42013  Sterimol/B2: 2.58362  Sterimol/B3: 2.95325
  Sterimol/B4: 3.13458  Sterimol/L: 12.9342 
 
 Surface and Volume Properties
  Accessible surface: 344.299  Positive charged surface: 250.568  Negative charged surface: 93.7309  Volume: 130.125
  Hydrophobic surface: 197.326  Hydrophilic surface: 146.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.