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CHEMDIV-ZINC00470953

 MMsINC code: MMs00853824
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C1CCN(CC1)C(=O)NC(C)(C)C
InChI:   InChI=1/C11H20N2O3/c1-11(2,3)12-10(16)13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)

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Potential Energy
Epot(MMFF94)=4.65657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -0.78467  SlogP: 1.2911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101319  Sterimol/B1: 2.1672  Sterimol/B2: 3.69177  Sterimol/B3: 4.04982
  Sterimol/B4: 5.01561  Sterimol/L: 13.6662 
 
 Surface and Volume Properties
  Accessible surface: 453.899  Positive charged surface: 328.956  Negative charged surface: 124.944  Volume: 225.625
  Hydrophobic surface: 287.176  Hydrophilic surface: 166.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00853825
CHEMDIV-ZINC00470953