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PUBCHEM-ZINC06020759

 MMsINC code: MMs03495916
Type: Ionized
Formula: C14H24NO4-
SMILES:   O(C(CNC(=O)C1CCC(C(=O)[O-])(C)C1(C)C)C)C
InChI:   InChI=1/C14H25NO4/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3/h9-10H,6-8H2,1-5H3,(H,15,16)(H,17,18)/p-1/t9-,10+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=55.9359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.349 g/mol  logS: -1.98857  SlogP: 0.3299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131855  Sterimol/B1: 3.03339  Sterimol/B2: 3.28098  Sterimol/B3: 4.39086
  Sterimol/B4: 4.89566  Sterimol/L: 14.4184 
 
 Surface and Volume Properties
  Accessible surface: 499.992  Positive charged surface: 351.012  Negative charged surface: 148.98  Volume: 275.5
  Hydrophobic surface: 343.148  Hydrophilic surface: 156.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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:


MMs03495915
PUBCHEM-ZINC06020759