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PUBCHEM-ZINC03632030

 MMsINC code: MMs03027990
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(CC(=O)N1CCN(CC1)C(=O)COC)C
InChI:   InChI=1/C10H18N2O4/c1-15-7-9(13)11-3-5-12(6-4-11)10(14)8-16-2/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=76.2906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.15782  SlogP: -1.05  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431309  Sterimol/B1: 2.07591  Sterimol/B2: 2.81966  Sterimol/B3: 3.19184
  Sterimol/B4: 5.80743  Sterimol/L: 16.2031 
 
 Surface and Volume Properties
  Accessible surface: 463.984  Positive charged surface: 395.268  Negative charged surface: 68.7163  Volume: 223.875
  Hydrophobic surface: 373.433  Hydrophilic surface: 90.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.