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CHEMBRIDGE-ZINC02733962

 MMsINC code: MMs00714128
Type: Neutral
Formula: C12H21NO4
SMILES:   O(C(=O)C1CCCN(C1)C(=O)COCC)CC
InChI:   InChI=1/C12H21NO4/c1-3-16-9-11(14)13-7-5-6-10(8-13)12(15)17-4-2/h10H,3-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=32.8915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.303 g/mol  logS: -1.17121  SlogP: 0.8246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393553  Sterimol/B1: 2.61314  Sterimol/B2: 2.74189  Sterimol/B3: 3.40527
  Sterimol/B4: 7.20362  Sterimol/L: 16.3638 
 
 Surface and Volume Properties
  Accessible surface: 514.179  Positive charged surface: 397.365  Negative charged surface: 116.814  Volume: 245.875
  Hydrophobic surface: 393.766  Hydrophilic surface: 120.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.