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PUBCHEM-ZINC05887399

 MMsINC code: MMs03429738
Type: Neutral
Formula: C9H17NO5
SMILES:   O(C(=O)C(N(O)C(=O)CO)CC(C)C)C
InChI:   InChI=1/C9H17NO5/c1-6(2)4-7(9(13)15-3)10(14)8(12)5-11/h6-7,11,14H,4-5H2,1-3H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=79.3015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.237 g/mol  logS: -1.33155  SlogP: -0.2158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259488  Sterimol/B1: 2.72261  Sterimol/B2: 3.8358  Sterimol/B3: 4.7336
  Sterimol/B4: 7.50633  Sterimol/L: 10.9695 
 
 Surface and Volume Properties
  Accessible surface: 438.823  Positive charged surface: 320.238  Negative charged surface: 118.585  Volume: 205.5
  Hydrophobic surface: 263.663  Hydrophilic surface: 175.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.