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NCID-ZINC05767441

 MMsINC code: MMs02497223
Type: Neutral
Formula: C9H15NO4
SMILES:   O1CC(=O)N(C(OC)=O)C1C(C)(C)C
InChI:   InChI=1/C9H15NO4/c1-9(2,3)7-10(8(12)13-4)6(11)5-14-7/h7H,5H2,1-4H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=48.9056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.222 g/mol  logS: -1.22598  SlogP: 0.9838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192807  Sterimol/B1: 2.08575  Sterimol/B2: 3.3103  Sterimol/B3: 4.71946
  Sterimol/B4: 5.75817  Sterimol/L: 11.0039 
 
 Surface and Volume Properties
  Accessible surface: 380.43  Positive charged surface: 289.771  Negative charged surface: 90.6585  Volume: 190.125
  Hydrophobic surface: 271.936  Hydrophilic surface: 108.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.