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PUBCHEM-ZINC05858628

 MMsINC code: MMs03421174
Type: Ionized
Formula: C10H17N2O4-
SMILES:   O(CC)C1(NC(CCC(=O)N)C(=O)[O-])CC1
InChI:   InChI=1/C10H18N2O4/c1-2-16-10(5-6-10)12-7(9(14)15)3-4-8(11)13/h7,12H,2-6H2,1H3,(H2,11,13)(H,14,15)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=19.0303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.256 g/mol  logS: -1.05421  SlogP: -1.5134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796236  Sterimol/B1: 2.74626  Sterimol/B2: 3.40875  Sterimol/B3: 3.69159
  Sterimol/B4: 5.53396  Sterimol/L: 13.8663 
 
 Surface and Volume Properties
  Accessible surface: 448.687  Positive charged surface: 286.693  Negative charged surface: 161.994  Volume: 221.25
  Hydrophobic surface: 206.625  Hydrophilic surface: 242.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs03421173
PUBCHEM-ZINC05858628