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MAYBRIDGE-ZINC00057569

 MMsINC code: MMs02126698
Type: Ionized
Formula: C11H18NO4-
SMILES:   O(C(C)(C)C)C(=O)N1CCCCC1C(=O)[O-]
InChI:   InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=35.2978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.268 g/mol  logS: -1.72601  SlogP: 0.5259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147182  Sterimol/B1: 2.71124  Sterimol/B2: 3.82234  Sterimol/B3: 4.28413
  Sterimol/B4: 5.45523  Sterimol/L: 11.4748 
 
 Surface and Volume Properties
  Accessible surface: 441.902  Positive charged surface: 300.466  Negative charged surface: 141.436  Volume: 223.75
  Hydrophobic surface: 304.377  Hydrophilic surface: 137.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02126697
MAYBRIDGE-ZINC00057569