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CHEMDIV-ZINC02766976

 MMsINC code: MMs00887780
Type: Neutral
Formula: C11H18N2O5
SMILES:   O(C(=O)C(=O)N1CCN(CC1)C(OCC)=O)CC
InChI:   InChI=1/C11H18N2O5/c1-3-17-10(15)9(14)12-5-7-13(8-6-12)11(16)18-4-2/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=74.1525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -1.01195  SlogP: -0.1498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340632  Sterimol/B1: 2.74101  Sterimol/B2: 3.18096  Sterimol/B3: 3.44895
  Sterimol/B4: 5.51537  Sterimol/L: 16.7011 
 
 Surface and Volume Properties
  Accessible surface: 510.706  Positive charged surface: 393.691  Negative charged surface: 117.015  Volume: 241.375
  Hydrophobic surface: 356.265  Hydrophilic surface: 154.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.