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PUBCHEM-ZINC02560058

 MMsINC code: MMs02901037
Type: Neutral
Formula: C10H21NO3
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)CO
InChI:   InChI=1/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.7375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.282 g/mol  logS: -1.34977  SlogP: 1.528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108525  Sterimol/B1: 2.35895  Sterimol/B2: 3.05252  Sterimol/B3: 3.79505
  Sterimol/B4: 5.859  Sterimol/L: 12.4654 
 
 Surface and Volume Properties
  Accessible surface: 431.942  Positive charged surface: 326.065  Negative charged surface: 105.877  Volume: 213.75
  Hydrophobic surface: 270.65  Hydrophilic surface: 161.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.