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PUBCHEM-ZINC05294168

 MMsINC code: MMs03234244
Type: Ionized
Formula: C10H14NO4-
SMILES:   O=C1N(C(CC(C)C)C(=O)[O-])C(=O)CC1
InChI:   InChI=1/C10H15NO4/c1-6(2)5-7(10(14)15)11-8(12)3-4-9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=12.8955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.225 g/mol  logS: -1.77282  SlogP: -0.7  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282943  Sterimol/B1: 2.809  Sterimol/B2: 2.91972  Sterimol/B3: 5.11879
  Sterimol/B4: 6.17293  Sterimol/L: 10.5965 
 
 Surface and Volume Properties
  Accessible surface: 402.167  Positive charged surface: 230.516  Negative charged surface: 171.652  Volume: 198.875
  Hydrophobic surface: 225.938  Hydrophilic surface: 176.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs03234243
PUBCHEM-ZINC05294168