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PUBCHEM-ZINC05644181

 MMsINC code: MMs03333181
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(CC(=O)N1CCN(CC1)CC)CC(O)=O
InChI:   InChI=1/C10H18N2O4/c1-2-11-3-5-12(6-4-11)9(13)7-16-8-10(14)15/h2-8H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=62.6919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.16954  SlogP: -0.7483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456731  Sterimol/B1: 2.3363  Sterimol/B2: 3.17604  Sterimol/B3: 3.35547
  Sterimol/B4: 5.60496  Sterimol/L: 16.1565 
 
 Surface and Volume Properties
  Accessible surface: 465.66  Positive charged surface: 358.054  Negative charged surface: 107.606  Volume: 220.125
  Hydrophobic surface: 293.903  Hydrophilic surface: 171.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.