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PUBCHEM-ZINC02734775

 MMsINC code: MMs02913201
Type: Neutral
Formula: C8H15NO4
SMILES:   O(C(=O)C(=O)NC(COC)C)CC
InChI:   InChI=1/C8H15NO4/c1-4-13-8(11)7(10)9-6(2)5-12-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=41.878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.211 g/mol  logS: -0.96834  SlogP: -0.2994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467077  Sterimol/B1: 2.925  Sterimol/B2: 3.19893  Sterimol/B3: 3.75272
  Sterimol/B4: 3.96733  Sterimol/L: 14.6203 
 
 Surface and Volume Properties
  Accessible surface: 430.638  Positive charged surface: 330.49  Negative charged surface: 100.148  Volume: 185.875
  Hydrophobic surface: 294.084  Hydrophilic surface: 136.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.