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CHEMBRIDGE-ZINC02298679

 MMsINC code: MMs00706520
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(C)C)CCCNC(=O)C(=O)NC1CC1
InChI:   InChI=1/C11H20N2O3/c1-8(2)16-7-3-6-12-10(14)11(15)13-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=36.8331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.48689  SlogP: 0.1963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280892  Sterimol/B1: 2.26322  Sterimol/B2: 2.85632  Sterimol/B3: 3.45682
  Sterimol/B4: 4.5533  Sterimol/L: 17.8845 
 
 Surface and Volume Properties
  Accessible surface: 518.248  Positive charged surface: 371.33  Negative charged surface: 146.917  Volume: 234.625
  Hydrophobic surface: 322.359  Hydrophilic surface: 195.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.