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PUBCHEM-ZINC04977489

 MMsINC code: MMs03187180
Type: Neutral
Formula: C10H19NO5
SMILES:   O(C(C)(C)C)C(=O)NC(C(O)C)C(OC)=O
InChI:   InChI=1/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=41.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -1.3544  SlogP: 0.4335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889553  Sterimol/B1: 2.49612  Sterimol/B2: 2.85881  Sterimol/B3: 4.01654
  Sterimol/B4: 6.05864  Sterimol/L: 14.2097 
 
 Surface and Volume Properties
  Accessible surface: 470.541  Positive charged surface: 343.245  Negative charged surface: 127.296  Volume: 224.75
  Hydrophobic surface: 283.976  Hydrophilic surface: 186.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.