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ACROSORGANICS-ZINC02170237

 MMsINC code: MMs00013173
Type: Ionized
Formula: C10H18NO4-
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)[O-]
InChI:   InChI=1/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=19.8221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.257 g/mol  logS: -1.8086  SlogP: 0.2856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10749  Sterimol/B1: 3.48332  Sterimol/B2: 3.58386  Sterimol/B3: 3.74892
  Sterimol/B4: 4.86852  Sterimol/L: 12.6318 
 
 Surface and Volume Properties
  Accessible surface: 439.328  Positive charged surface: 282.185  Negative charged surface: 157.144  Volume: 214.875
  Hydrophobic surface: 248.566  Hydrophilic surface: 190.762
 
 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:


MMs00013172
ACROSORGANICS-ZINC02170237