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CHEMBRIDGE-ZINC01230311

 MMsINC code: MMs00692177
Type: Neutral
Formula: C10H14N2O5
SMILES:   O1CC(=O)N(CC(=O)N2CCOCC2)C(=O)C1
InChI:   InChI=1/C10H14N2O5/c13-8(11-1-3-16-4-2-11)5-12-9(14)6-17-7-10(12)15/h1-7H2

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Potential Energy
Epot(MMFF94)=66.0134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.231 g/mol  logS: -0.69397  SlogP: -1.7694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136024  Sterimol/B1: 2.37051  Sterimol/B2: 3.59278  Sterimol/B3: 4.27457
  Sterimol/B4: 5.07534  Sterimol/L: 12.3698 
 
 Surface and Volume Properties
  Accessible surface: 427.154  Positive charged surface: 326.941  Negative charged surface: 100.213  Volume: 210.75
  Hydrophobic surface: 300.016  Hydrophilic surface: 127.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.