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MAYBRIDGE-ZINC00057568

 MMsINC code: MMs02126696
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-/m0/s1

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Potential Energy
Epot(MMFF94)=30.4459 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: 0.142093  Sterimol/B1: 2.77562  Sterimol/B2: 3.49316  Sterimol/B3: 4.82032
  Sterimol/B4: 4.88945  Sterimol/L: 12.0113 
 
 Surface and Volume Properties
  Accessible surface: 440.432  Positive charged surface: 299.064  Negative charged surface: 141.368  Volume: 222.5
  Hydrophobic surface: 303.606  Hydrophilic surface: 136.826
 
 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:


MMs02126695
MAYBRIDGE-ZINC00057568