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IBS-ZINC02218600

 MMsINC code: MMs01806407
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(C)C)C(=O)C(N1CCCC1)CC(O)=O
InChI:   InChI=1/C11H19NO4/c1-8(2)16-11(15)9(7-10(13)14)12-5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=41.9913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.98116  SlogP: 0.8771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112203  Sterimol/B1: 2.60411  Sterimol/B2: 3.78718  Sterimol/B3: 4.73132
  Sterimol/B4: 5.05513  Sterimol/L: 12.6107 
 
 Surface and Volume Properties
  Accessible surface: 455.174  Positive charged surface: 330.479  Negative charged surface: 124.695  Volume: 225.5
  Hydrophobic surface: 320.9  Hydrophilic surface: 134.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.