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OAKWOOD-ZINC02555504

 MMsINC code: MMs02546006
Type: Ionized
Formula: C10H18NO4-
SMILES:   O(C(C)(C)C)C(=O)NC(CC(=O)[O-])CC
InChI:   InChI=1/C10H19NO4/c1-5-7(6-8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.01413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.257 g/mol  logS: -1.48875  SlogP: 0.4297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131005  Sterimol/B1: 2.39909  Sterimol/B2: 3.39884  Sterimol/B3: 3.80621
  Sterimol/B4: 7.61076  Sterimol/L: 11.7916 
 
 Surface and Volume Properties
  Accessible surface: 447.893  Positive charged surface: 288.003  Negative charged surface: 159.891  Volume: 217
  Hydrophobic surface: 260.72  Hydrophilic surface: 187.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs02546005
OAKWOOD-ZINC02555504