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CHEMBRIDGE-ZINC02751944

 MMsINC code: MMs00715305
Type: Neutral
Formula: C11H19NO5
SMILES:   O(C(=O)C(=O)NC(CC(C)C)C(OC)=O)CC
InChI:   InChI=1/C11H19NO5/c1-5-17-11(15)9(13)12-8(6-7(2)3)10(14)16-4/h7-8H,5-6H2,1-4H3,(H,12,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=58.2586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.275 g/mol  logS: -2.46608  SlogP: 0.2534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851414  Sterimol/B1: 2.97856  Sterimol/B2: 3.80295  Sterimol/B3: 5.25373
  Sterimol/B4: 5.95827  Sterimol/L: 14.151 
 
 Surface and Volume Properties
  Accessible surface: 508.025  Positive charged surface: 361.472  Negative charged surface: 146.553  Volume: 242.125
  Hydrophobic surface: 332.037  Hydrophilic surface: 175.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.