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PUBCHEM-ZINC02001003

 MMsINC code: MMs02843285
Type: Neutral
Formula: C10H20NO4+
SMILES:   O(C(CC(OC)=O)C[N+](C)(C)C)C(=O)C
InChI:   InChI=1/C10H20NO4/c1-8(12)15-9(6-10(13)14-5)7-11(2,3)4/h9H,6-7H2,1-5H3/q+1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=68.5455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.273 g/mol  logS: -0.06367  SlogP: 0.1874  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123737  Sterimol/B1: 2.10843  Sterimol/B2: 2.98642  Sterimol/B3: 3.78484
  Sterimol/B4: 7.08893  Sterimol/L: 13.1673 
 
 Surface and Volume Properties
  Accessible surface: 440.112  Positive charged surface: 369.32  Negative charged surface: 70.7921  Volume: 220.875
  Hydrophobic surface: 342.709  Hydrophilic surface: 97.403
 
 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.