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IFLAB-ZINC03881204

 MMsINC code: MMs02006232
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(=O)C(N1CCCCC1)CC(OC)=O)C
InChI:   InChI=1/C11H19NO4/c1-15-10(13)8-9(11(14)16-2)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=52.2193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.94084  SlogP: 0.577  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.182308  Sterimol/B1: 2.34324  Sterimol/B2: 2.65118  Sterimol/B3: 4.37126
  Sterimol/B4: 8.39572  Sterimol/L: 11.5542 
 
 Surface and Volume Properties
  Accessible surface: 452.37  Positive charged surface: 382.467  Negative charged surface: 69.9032  Volume: 224.25
  Hydrophobic surface: 409.37  Hydrophilic surface: 43
 
 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


MMs02006233
IFLAB-ZINC03881204