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PUBCHEM-ZINC02007622

 MMsINC code: MMs02847202
Type: Neutral
Formula: C10H20NO4+
SMILES:   O(C(C(OCC[N+](C)(C)C)=O)C)C(=O)C
InChI:   InChI=1/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H,6-7H2,1-5H3/q+1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=62.9746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.273 g/mol  logS: -0.50896  SlogP: 0.1874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749571  Sterimol/B1: 2.19864  Sterimol/B2: 2.92965  Sterimol/B3: 3.72165
  Sterimol/B4: 5.52971  Sterimol/L: 14.5115 
 
 Surface and Volume Properties
  Accessible surface: 451.255  Positive charged surface: 349.468  Negative charged surface: 101.787  Volume: 220.625
  Hydrophobic surface: 310.967  Hydrophilic surface: 140.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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Ions/Tautomers related molecules: no related molecules available.