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PUBCHEM-ZINC05759269

 MMsINC code: MMs03373241
Type: Neutral
Formula: C6H13NO2
SMILES:   O(C(=O)NCC(C)C)C
InChI:   InChI=1/C6H13NO2/c1-5(2)4-7-6(8)9-3/h5H,4H2,1-3H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-9.03714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.175 g/mol  logS: -0.57068  SlogP: 0.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617637  Sterimol/B1: 2.13103  Sterimol/B2: 2.56308  Sterimol/B3: 3.25842
  Sterimol/B4: 4.70526  Sterimol/L: 11.8989 
 
 Surface and Volume Properties
  Accessible surface: 343.077  Positive charged surface: 264.332  Negative charged surface: 78.7457  Volume: 140.625
  Hydrophobic surface: 236.296  Hydrophilic surface: 106.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.