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ACROSORGANICS-ZINC01433118

 MMsINC code: MMs00008745
Type: Ionized
Formula: C11H18NO4-
SMILES:   O(C(C)(C)C)C(=O)NC1CC(CC1)C(=O)[O-]
InChI:   InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/p-1/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=6.55634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.268 g/mol  logS: -1.58848  SlogP: 0.4297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950068  Sterimol/B1: 2.31334  Sterimol/B2: 2.76521  Sterimol/B3: 4.19605
  Sterimol/B4: 4.87178  Sterimol/L: 14.5316 
 
 Surface and Volume Properties
  Accessible surface: 458.426  Positive charged surface: 308.572  Negative charged surface: 149.854  Volume: 223.375
  Hydrophobic surface: 288.648  Hydrophilic surface: 169.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs00008744
ACROSORGANICS-ZINC01433118