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PUBCHEM-ZINC02048675

 MMsINC code: MMs02865874
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)CC(O)(C(C)(C)C)C)CC
InChI:   InChI=1/C10H20O3/c1-6-13-8(11)7-10(5,12)9(2,3)4/h12H,6-7H2,1-5H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=56.4224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.26503  SlogP: 1.7367  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.125263  Sterimol/B1: 3.26851  Sterimol/B2: 3.27361  Sterimol/B3: 3.83505
  Sterimol/B4: 4.36687  Sterimol/L: 13.3767 
 
 Surface and Volume Properties
  Accessible surface: 413.15  Positive charged surface: 285.255  Negative charged surface: 127.895  Volume: 201.375
  Hydrophobic surface: 266.096  Hydrophilic surface: 147.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.