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PUBCHEM-ZINC05965962

 MMsINC code: MMs03465898
Type: Neutral
Formula: C5H7NO3
SMILES:   O1CC(=O)N(C)C(=O)C1
InChI:   InChI=1/C5H7NO3/c1-6-4(7)2-9-3-5(6)8/h2-3H2,1H3

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Potential Energy
Epot(MMFF94)=29.0708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.115 g/mol  logS: -0.33591  SlogP: -0.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100314  Sterimol/B1: 2.46324  Sterimol/B2: 2.5064  Sterimol/B3: 3.95926
  Sterimol/B4: 3.96011  Sterimol/L: 7.86622 
 
 Surface and Volume Properties
  Accessible surface: 282.25  Positive charged surface: 209.759  Negative charged surface: 72.4916  Volume: 113.25
  Hydrophobic surface: 184.323  Hydrophilic surface: 97.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.