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PUBCHEM-ZINC06706638

 MMsINC code: MMs03843583
Type: Neutral
Formula: C9H17NO4
SMILES:   O(C(=O)C(N(O)C(=O)C)CC(C)C)C
InChI:   InChI=1/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=60.9145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.238 g/mol  logS: -1.54145  SlogP: 0.8118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240174  Sterimol/B1: 2.40315  Sterimol/B2: 2.68662  Sterimol/B3: 4.8192
  Sterimol/B4: 7.01451  Sterimol/L: 11.1979 
 
 Surface and Volume Properties
  Accessible surface: 421.357  Positive charged surface: 297.446  Negative charged surface: 123.91  Volume: 199.625
  Hydrophobic surface: 296.643  Hydrophilic surface: 124.714
 
 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.