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CHEMBRIDGE-ZINC02727551

 MMsINC code: MMs00714025
Type: Neutral
Formula: C11H17NO5
SMILES:   O(C(=O)C(=O)N1CCC(CC1)C(OC)=O)CC
InChI:   InChI=1/C11H17NO5/c1-3-17-11(15)9(13)12-6-4-8(5-7-12)10(14)16-2/h8H,3-7H2,1-2H3

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Potential Energy
Epot(MMFF94)=63.6089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.259 g/mol  logS: -1.10953  SlogP: -0.0389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542569  Sterimol/B1: 2.55872  Sterimol/B2: 3.25289  Sterimol/B3: 4.29621
  Sterimol/B4: 5.08512  Sterimol/L: 16.0266 
 
 Surface and Volume Properties
  Accessible surface: 477.862  Positive charged surface: 369.129  Negative charged surface: 108.733  Volume: 228.625
  Hydrophobic surface: 348.804  Hydrophilic surface: 129.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.