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SINTONIX-ZINC04198759

 MMsINC code: MMs03932430
Type: Neutral
Formula: C8H13NO4
SMILES:   O1CC(NC(OC(C)(C)C)=O)C1=O
InChI:   InChI=1/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=31.0331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.195 g/mol  logS: -1.37857  SlogP: 0.4365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122886  Sterimol/B1: 2.70365  Sterimol/B2: 3.01627  Sterimol/B3: 3.78103
  Sterimol/B4: 4.89252  Sterimol/L: 12.0743 
 
 Surface and Volume Properties
  Accessible surface: 391.018  Positive charged surface: 207.227  Negative charged surface: 130.143  Volume: 174.375
  Hydrophobic surface: 187.917  Hydrophilic surface: 203.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.